N-(2-dimethylaminoethyl)-4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[[2-(methoxymethyl)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2COC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2COC)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5S/c1-22(2)11-10-21-29(26,27)17-8-9-18(19(12-17)23(24)25)20-13-15-6-4-5-7-16(15)14-28-3/h4-9,12,20-21H,10-11,13-14H2,1-3H3