3-[[2,6-bis(chloranyl)phenyl]methyl-(4-methylphenyl)sulfonyl-amino]-N-butan-2-yl-propanamide

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methyl-(4-methylphenyl)sulfonyl-amino]-N-butan-2-yl-propanamide Openeye Name: 3-[(2,6-dichlorophenyl)methyl-(p-tolylsulfonyl)amino]-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-3-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-butan-2-yl-3-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]propanamide Traditional Name: 3-[(2,6-dichlorobenzyl)-tosyl-amino]-N-sec-butyl-propionamide Formula: C21H26Cl2N2O3S MolecularWeight: 457.41374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN(CC1=C(C=CC=C1Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)NC(=O)CCN(CC1=C(C=CC=C1Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26Cl2N2O3S/c1-4-16(3)24-21(26)12-13-25(14-18-19(22)6-5-7-20(18)23)29(27,28)17-10-8-15(2)9-11-17/h5-11,16H,4,12-14H2,1-3H3,(H,24,26)