4-[[2-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[2-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[2-(dimethylaminomethyl)phenyl]methylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[2-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[2-(dimethylaminomethyl)benzyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S/c1-14(2)21-28(26,27)17-9-10-18(19(11-17)23(24)25)20-12-15-7-5-6-8-16(15)13-22(3)4/h5-11,14,20-21H,12-13H2,1-4H3