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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[(3-isopropoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-(3-isopropoxybenzyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O5S/c1-14(2)28-17-6-4-5-15(11-17)13-23-21(25)20-9-10-24(30(3,26)27)18-12-16(22)7-8-19(18)29-20/h4-8,11-12,14,20H,9-10,13H2,1-3H3,(H,23,25)