1-(3-chlorophenyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-chlorophenyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3-chlorophenyl)-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(3-chlorophenyl)-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chlorophenyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O5S/c1-26-17-6-5-15(12-16(17)21(22)23)27(24,25)20-9-7-19(8-10-20)14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3