1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(4-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenoxy)butan-1-one Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-4-(4-methylphenoxy)butan-1-one Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-18-6-9-21(10-7-18)29-16-4-5-23(26)24-12-14-25(15-13-24)30(27,28)22-11-8-19(2)20(3)17-22/h6-11,17H,4-5,12-16H2,1-3H3