4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[methyl-[[4-(methylthio)phenyl]methyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[methyl-[4-(methylthio)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-13(2)19-27(24,25)16-9-10-17(18(11-16)21(22)23)20(3)12-14-5-7-15(26-4)8-6-14/h5-11,13,19H,12H2,1-4H3