3-(4-methylphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-(p-tolyl)propan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-18-7-9-19(10-8-18)11-12-21(24)22-13-15-23(16-14-22)27(25,26)17-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3