1-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-3-cyclopentyl-propan-1-one

Systemtic Name: 1-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazino]-3-cyclopentyl-propan-1-one Formula: C25H37N3O4S MolecularWeight: 475.64398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)CCC4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)CCC4CCCC4

InChI

InChI=1S/C25H37N3O4S/c29-24(13-12-21-8-3-4-9-21)26-16-18-27(19-17-26)25(30)22-10-7-11-23(20-22)33(31,32)28-14-5-1-2-6-15-28/h7,10-11,20-21H,1-6,8-9,12-19H2