N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

InChI=1S/C21H26N2O6S/c1-27-18-11-10-15(13-19(18)28-2)7-6-12-22-21(24)20-14-23(30(3,25)26)16-8-4-5-9-17(16)29-20/h4-5,8-11,13,20H,6-7,12,14H2,1-3H3,(H,22,24)