1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one CAS Name: 1-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-(4-methoxyphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Formula: C27H29ClN2O4S MolecularWeight: 513.04816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O4S/c1-34-24-11-13-25(14-12-24)35(32,33)20-15-26(31)29-16-18-30(19-17-29)27(21-5-3-2-4-6-21)22-7-9-23(28)10-8-22/h2-14,27H,15-20H2,1H3