1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazine Openeye Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-(4-isopropylphenyl)sulfonyl-piperazine CAS Name: 1-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-p-cumenylsulfonyl-piperazine Formula: C17H22ClN5O4S MolecularWeight: 427.90568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H22ClN5O4S/c1-13(2)14-3-5-15(6-4-14)28(26,27)22-9-7-20(8-10-22)12-21-11-16(18)17(19-21)23(24)25/h3-6,11,13H,7-10,12H2,1-2H3