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

Systemtic Name: 6-chloranyl-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C22H27ClN2O6S/c1-4-30-19-9-7-15(12-20(19)29-2)6-5-11-24-22(26)21-14-25(32(3,27)28)17-13-16(23)8-10-18(17)31-21/h7-10,12-13,21H,4-6,11,14H2,1-3H3,(H,24,26)