N3-cyclopropyl-N1-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,3-diamine

Systemtic Name: N3-cyclopropyl-N1-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,3-diamine Openeye Name: N3-cyclopropyl-N1-(4-methylsulfonyl-2-nitro-phenyl)benzene-1,3-diamine CAS Name: N3-cyclopropyl-N1-(4-methylsulfonyl-2-nitrophenyl)benzene-1,3-diamine IUPAC Name: 3-N-cyclopropyl-1-N-(4-methylsulfonyl-2-nitrophenyl)benzene-1,3-diamine Traditional Name: cyclopropyl-[3-(4-mesyl-2-nitro-anilino)phenyl]amine Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-24(22,23)14-7-8-15(16(10-14)19(20)21)18-13-4-2-3-12(9-13)17-11-5-6-11/h2-4,7-11,17-18H,5-6H2,1H3