N-tert-butyl-4-[[3-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[3-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[3-(dimethylaminomethyl)phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[3-(dimethylaminomethyl)phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[3-(dimethylaminomethyl)phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[3-(dimethylaminomethyl)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4S/c1-20(2,3)22-29(27,28)17-9-10-18(19(12-17)24(25)26)21-13-15-7-6-8-16(11-15)14-23(4)5/h6-12,21-22H,13-14H2,1-5H3