1-(4-butan-2-ylphenyl)sulfonyl-4-(5-chloranyl-2-methyl-phenyl)piperazine

Systemtic Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-(5-chloranyl-2-methyl-phenyl)piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine CAS Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine IUPAC Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2S/c1-4-16(2)18-6-9-20(10-7-18)27(25,26)24-13-11-23(12-14-24)21-15-19(22)8-5-17(21)3/h5-10,15-16H,4,11-14H2,1-3H3