2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-(3-methylsulfonylpropoxy)phenyl]methyl]propanamide

Systemtic Name: 2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-(3-methylsulfonylpropoxy)phenyl]methyl]propanamide Openeye Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-(3-methylsulfonylpropoxy)phenyl]methyl]propanamide CAS Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-(3-methylsulfonylpropoxy)phenyl]methyl]propanamide IUPAC Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(3-methoxypropyl)-5-(3-methylsulfonylpropoxy)phenyl]methyl]propanamide Traditional Name: 2-(aminomethyl)-N-cyclopropyl-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[3-(3-mesylpropoxy)-5-(3-methoxypropyl)benzyl]propionamide Formula: C37H48Cl2N2O7S MolecularWeight: 735.75722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCCCS(=O)(=O)C)C4CC4)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N(CC3=CC(=CC(=C3)CCCOC)OCCCS(=O)(=O)C)C4CC4)Cl

InChI

InChI=1S/C37H48Cl2N2O7S/c1-26-18-34(38)36(35(39)19-26)48-16-15-47-32-11-7-27(8-12-32)21-30(24-40)37(42)41(31-9-10-31)25-29-20-28(6-4-13-45-2)22-33(23-29)46-14-5-17-49(3,43)44/h7-8,11-12,18-20,22-23,30-31H,4-6,9-10,13-17,21,24-25,40H2,1-3H3