4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2-chloro-5-nitrophenyl)methyl-methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(2-chloro-5-nitrophenyl)methyl-methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H19ClN4O6S MolecularWeight: 442.87396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O6S/c1-11(2)19-29(27,28)14-5-7-16(17(9-14)22(25)26)20(3)10-12-8-13(21(23)24)4-6-15(12)18/h4-9,11,19H,10H2,1-3H3