N-(2,4-dimethylphenyl)-3-nitro-4-[(4-oxidanylcyclohexyl)amino]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(4-oxidanylcyclohexyl)amino]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(4-hydroxycyclohexyl)amino]-3-nitro-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-13-3-9-18(14(2)11-13)22-29(27,28)17-8-10-19(20(12-17)23(25)26)21-15-4-6-16(24)7-5-15/h3,8-12,15-16,21-22,24H,4-7H2,1-2H3