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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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