N-methyl-4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-methyl-4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-methyl-4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-methyl-4-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-methyl-4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[3-(3-ketopiperazino)sulfonylbenzoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H22N4O6S/c1-22-20(27)18-12-25(16-7-2-3-8-17(16)31-18)21(28)14-5-4-6-15(11-14)32(29,30)24-10-9-23-19(26)13-24/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,27)(H,23,26)