4-[(4-aminophenyl)amino]-N-methylsulfonyl-3-nitro-benzenesulfonamide; 1-(sulfinoamino)butane

Systemtic Name: 4-[(4-aminophenyl)amino]-N-methylsulfonyl-3-nitro-benzenesulfonamide; 1-(sulfinoamino)butane Openeye Name: 4-(4-aminoanilino)-N-methylsulfonyl-3-nitro-benzenesulfonamide; 1-(sulfinoamino)butane CAS Name: 4-(4-aminoanilino)-N-methylsulfonyl-3-nitrobenzenesulfonamide; 1-(sulfinoamino)butane IUPAC Name: 4-(4-aminoanilino)-N-methylsulfonyl-3-nitrobenzenesulfonamide; 1-(sulfinoamino)butane Traditional Name: 4-(4-aminoanilino)-N-mesyl-3-nitro-benzenesulfonamide; 1-(sulfinoamino)butane Formula: C17H25N5O8S3 MolecularWeight: 523.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)O.CS(=O)(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCCNS(=O)O.CS(=O)(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6S2.C4H11NO2S/c1-24(20,21)16-25(22,23)11-6-7-12(13(8-11)17(18)19)15-10-4-2-9(14)3-5-10;1-2-3-4-5-8(6)7/h2-8,15-16H,14H2,1H3;5H,2-4H2,1H3,(H,6,7)