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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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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(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4S/c1-13-3-5-15(11-17(13)19)20-7-9-21(10-8-20)27(25,26)18-12-16(22(23)24)6-4-14(18)2/h3-6,11-12H,7-10H2,1-2H3