1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(o-tolylmethyl)piperazine CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(2-methylbenzyl)piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4S/c1-14-4-2-3-5-15(14)13-20-8-10-21(11-9-20)27(25,26)16-6-7-17(19)18(12-16)22(23)24/h2-7,12H,8-11,13H2,1H3