N-[3-(3,4-dimethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

InChI=1S/C22H28N2O6S/c1-28-19-11-10-16(15-21(19)29-2)7-6-13-23-22(25)20-12-14-24(31(3,26)27)17-8-4-5-9-18(17)30-20/h4-5,8-11,15,20H,6-7,12-14H2,1-3H3,(H,23,25)