2-[4-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazino]-1-pyrrolidino-ethanone Formula: C23H34N4O4S MolecularWeight: 462.60546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H34N4O4S/c28-22(25-11-5-6-12-25)19-24-15-17-26(18-16-24)23(29)20-7-9-21(10-8-20)32(30,31)27-13-3-1-2-4-14-27/h7-10H,1-6,11-19H2