2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c29-24(20-27-13-7-12-26(16-17-27)19-21-8-2-1-3-9-21)25-22-10-6-11-23(18-22)32(30,31)28-14-4-5-15-28/h1-3,6,8-11,18H,4-5,7,12-17,19-20H2,(H,25,29)