3-(azepan-1-ylsulfonyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(pyrrolidine-1-carbonyl)benzyl]benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O4S/c29-24(26-19-20-10-12-21(13-11-20)25(30)27-14-5-6-15-27)22-8-7-9-23(18-22)33(31,32)28-16-3-1-2-4-17-28/h7-13,18H,1-6,14-17,19H2,(H,26,29)