N-butyl-4-chloranyl-N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-butyl-4-chloranyl-N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-butyl-4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-butyl-4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-butyl-4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-butyl-4-chloro-N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]-3-nitro-benzenesulfonamide Formula: C28H29ClN4O6S MolecularWeight: 585.07106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H29ClN4O6S/c1-4-6-17-31(40(37,38)22-15-16-24(29)26(18-22)33(35)36)19(3)27-30-25-10-8-7-9-23(25)28(34)32(27)20-11-13-21(14-12-20)39-5-2/h7-16,18-19H,4-6,17H2,1-3H3