1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-[(3-chlorophenyl)methyl]piperazine

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-[(3-chlorophenyl)methyl]piperazine Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-piperazine CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-[(3-chlorophenyl)methyl]piperazine IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-[(3-chlorophenyl)methyl]piperazine Traditional Name: 1-(3-chlorobenzyl)-4-[4-[(1S)-1-methylpropyl]phenyl]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)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H27ClN2O2S/c1-3-17(2)19-7-9-21(10-8-19)27(25,26)24-13-11-23(12-14-24)16-18-5-4-6-20(22)15-18/h4-10,15,17H,3,11-14,16H2,1-2H3/t17-/m0/s1