N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCN2C(=O)COC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCN2C(=O)COC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c1-32(29,30)14-6-7-15(17(12-14)24(27)28)21-9-10-22-19(25)8-11-23-16-4-2-3-5-18(16)31-13-20(23)26/h2-7,12,21H,8-11,13H2,1H3,(H,22,25)