N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(p-tolylsulfonyl)furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-propoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonyl-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-(4-methylphenyl)sulfonylfuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-5-tosyl-2-furamide Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

InChI

InChI=1S/C29H36N2O5S/c1-3-20-35-24-12-10-23(11-13-24)26(31-18-6-4-5-7-19-31)21-30-29(32)27-16-17-28(36-27)37(33,34)25-14-8-22(2)9-15-25/h8-17,26H,3-7,18-21H2,1-2H3,(H,30,32)