N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(3-methoxypropylamino)-oxomethyl]phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-29-13-7-12-22-20(25)15-8-3-4-9-16(15)23-21(26)19-14-24(31(2,27)28)17-10-5-6-11-18(17)30-19/h3-6,8-11,19H,7,12-14H2,1-2H3,(H,22,25)(H,23,26)