1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-(m-tolylmethyl)piperazine CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine IUPAC Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine Traditional Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-(3-methylbenzyl)piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H25N3O4S/c1-15-5-4-6-18(11-15)14-21-7-9-22(10-8-21)28(26,27)20-13-19(23(24)25)12-16(2)17(20)3/h4-6,11-13H,7-10,14H2,1-3H3