4-[(2-methylphenyl)methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2-methylphenyl)methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(o-tolylmethylamino)benzenesulfonamide CAS Name: 4-[(2-methylphenyl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(2-methylphenyl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[(2-methylbenzyl)amino]-3-nitro-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-12(2)19-25(23,24)15-8-9-16(17(10-15)20(21)22)18-11-14-7-5-4-6-13(14)3/h4-10,12,18-19H,11H2,1-3H3