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

Systemtic Name: 6-chloranyl-N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-8-6-14(11-19(18)29-2)5-4-10-23-21(25)20-13-24(31(3,26)27)16-12-15(22)7-9-17(16)30-20/h6-9,11-12,20H,4-5,10,13H2,1-3H3,(H,23,25)