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

Systemtic Name: [4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazino]-(4-ethylphenyl)methanone Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O4S/c1-2-21-10-12-22(13-11-21)25(30)27-16-18-28(19-17-27)26(31)23-8-7-9-24(20-23)34(32,33)29-14-5-3-4-6-15-29/h7-13,20H,2-6,14-19H2,1H3