1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(4-ethylbenzoyl)piperazino]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-2-22-6-11-24(12-7-22)27(32)29-20-18-28(19-21-29)26(31)15-10-23-8-13-25(14-9-23)35(33,34)30-16-4-3-5-17-30/h6-9,11-14H,2-5,10,15-21H2,1H3