N-tert-butyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 4-(benzylamino)-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 4-(benzylamino)-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylamino)-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-17(2,3)19-25(23,24)14-9-10-15(16(11-14)20(21)22)18-12-13-7-5-4-6-8-13/h4-11,18-19H,12H2,1-3H3