1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C16H21ClN4O2S/c1-13-15(16(17)19(2)18-13)24(22,23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3