N-(phenylmethyl)-2-[4-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]acetamide CAS Name: 2-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(4-pyrrolidinosulfonyl-1H-pyrrole-2-carbonyl)piperazino]acetamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O4S/c28-21(24-15-18-6-2-1-3-7-18)17-25-10-12-26(13-11-25)22(29)20-14-19(16-23-20)32(30,31)27-8-4-5-9-27/h1-3,6-7,14,16,23H,4-5,8-13,15,17H2,(H,24,28)