3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-pyrrolidino-phenyl)propionamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-21-20-23(28-16-6-7-17-28)11-14-25(21)27-26(30)15-10-22-8-12-24(13-9-22)33(31,32)29-18-4-2-3-5-19-29/h8-9,11-14,20H,2-7,10,15-19H2,1H3,(H,27,30)