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

Systemtic Name: 7-chloranyl-N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(3-p-phenetylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H27ClN2O5S/c1-3-29-18-9-6-16(7-10-18)5-4-13-24-22(26)21-12-14-25(31(2,27)28)19-15-17(23)8-11-20(19)30-21/h6-11,15,21H,3-5,12-14H2,1-2H3,(H,24,26)