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

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-4-(3-methylphenoxy)butan-1-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-17-4-2-5-19(16-17)28-15-3-6-21(25)23-11-13-24(14-12-23)29(26,27)20-9-7-18(22)8-10-20/h2,4-5,7-10,16H,3,6,11-15H2,1H3