2-[(5-chloranyl-2-methoxy-phenyl)amino]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)amino]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5-chloro-2-methoxy-anilino)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5-chloro-2-methoxyanilino)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-chloro-2-methoxyanilino)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-chloro-2-methoxy-anilino)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H26ClN3O4S/c1-15-4-7-20(16(2)12-15)30(27,28)25-10-8-24(9-11-25)21(26)14-23-18-13-17(22)5-6-19(18)29-3/h4-7,12-13,23H,8-11,14H2,1-3H3