1-(3-chlorophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-chlorophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3-chlorophenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(3-chlorophenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chlorophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClN3O4S/c1-13-5-6-16(21(22)23)12-17(13)26(24,25)20-9-7-19(8-10-20)15-4-2-3-14(18)11-15/h2-6,11-12H,7-10H2,1H3