N-(2-dimethylaminoethyl)-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[1-[4-(methylthio)phenyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[1-[4-(methylthio)phenyl]ethylamino]-3-nitro-benzenesulfonamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S2/c1-14(15-5-7-16(28-4)8-6-15)21-18-10-9-17(13-19(18)23(24)25)29(26,27)20-11-12-22(2)3/h5-10,13-14,20-21H,11-12H2,1-4H3