1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-(3-chlorophenyl)piperazine

Systemtic Name: 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-(3-chlorophenyl)piperazine Openeye Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-(3-chlorophenyl)piperazine CAS Name: 1-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-(3-chlorophenyl)piperazine IUPAC Name: 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonyl-4-(3-chlorophenyl)piperazine Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-(3-chlorophenyl)piperazine Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H29ClN4O2S/c1-24(2,3)23-22(18-28(26-23)17-19-8-5-4-6-9-19)32(30,31)29-14-12-27(13-15-29)21-11-7-10-20(25)16-21/h4-11,16,18H,12-15,17H2,1-3H3