1-[4-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazino]phenyl]ethanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-20(29)21-9-11-23(12-10-21)26-15-17-27(18-16-26)25(30)22-7-6-8-24(19-22)33(31,32)28-13-4-2-3-5-14-28/h6-12,19H,2-5,13-18H2,1H3