1-(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonyl-4-(5-chloranyl-2-methyl-phenyl)piperazine

Systemtic Name: 1-(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonyl-4-(5-chloranyl-2-methyl-phenyl)piperazine Openeye Name: 1-(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine CAS Name: 1-[(3-tert-butyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]-4-(5-chloro-2-methylphenyl)piperazine IUPAC Name: 1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine Traditional Name: 1-(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine Formula: C21H31ClN4O2S MolecularWeight: 439.01444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3C(C)(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3C(C)(C)C)C(C)C

InChI

InChI=1S/C21H31ClN4O2S/c1-15(2)26-14-19(20(23-26)21(4,5)6)29(27,28)25-11-9-24(10-12-25)18-13-17(22)8-7-16(18)3/h7-8,13-15H,9-12H2,1-6H3