1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O4S/c1-16-20(21(22)26(23-16)17-6-3-2-4-7-17)15-24-10-12-25(13-11-24)32(30,31)19-9-5-8-18(14-19)27(28)29/h2-9,14H,10-13,15H2,1H3