3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(2-methyl-4-oxo-3-quinazolinyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(4-keto-2-methyl-quinazolin-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S/c1-14-24-17-6-4-3-5-16(17)21(28)25(14)12-9-20(27)23-11-10-22-18-8-7-15(33(2,31)32)13-19(18)26(29)30/h3-8,13,22H,9-12H2,1-2H3,(H,23,27)