N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[2-(homoveratrylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H31N3O7S/c1-4-39(34,35)31-18-26(38-23-12-8-7-11-22(23)31)28(33)30-21-10-6-5-9-20(21)27(32)29-16-15-19-13-14-24(36-2)25(17-19)37-3/h5-14,17,26H,4,15-16,18H2,1-3H3,(H,29,32)(H,30,33)