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

Systemtic Name: N-tert-butyl-4-[(3-ethanoylphenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-(3-acetylanilino)-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-(3-acetylanilino)-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3-acetylanilino)-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(3-acetylanilino)-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12(22)13-6-5-7-14(10-13)19-16-9-8-15(11-17(16)21(23)24)27(25,26)20-18(2,3)4/h5-11,19-20H,1-4H3