4-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfonyl)butan-1-one CAS Name: 4-(4-methylphenyl)sulfonyl-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-phenylpiperazino)-4-tosyl-butan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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