3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzoylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(4-benzoyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzoylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-benzoylpiperazino)propan-1-one Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c30-25(27-18-20-28(21-19-27)26(31)23-8-4-3-5-9-23)15-12-22-10-13-24(14-11-22)34(32,33)29-16-6-1-2-7-17-29/h3-5,8-11,13-14H,1-2,6-7,12,15-21H2