N-[3-[(2-chloranyl-4-nitro-phenyl)amino]-2,2-dimethyl-propyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]-2,2-dimethyl-propyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)-2,2-dimethyl-propyl]naphthalene-2-sulfonamide CAS Name: N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]naphthalene-2-sulfonamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)-2,2-dimethyl-propyl]naphthalene-2-sulfonamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22ClN3O4S/c1-21(2,13-23-20-10-8-17(25(26)27)12-19(20)22)14-24-30(28,29)18-9-7-15-5-3-4-6-16(15)11-18/h3-12,23-24H,13-14H2,1-2H3