7-chloranyl-5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(2,3,4-trimethoxybenzyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C21H25ClN2O7S/c1-28-17-7-5-13(19(29-2)20(17)30-3)12-23-21(25)18-9-10-24(32(4,26)27)15-11-14(22)6-8-16(15)31-18/h5-8,11,18H,9-10,12H2,1-4H3,(H,23,25)