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

Systemtic Name: N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[3-(4-ethoxyphenyl)propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(3-p-phenetylpropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-3-28-18-12-10-17(11-13-18)7-6-15-23-22(25)21-14-16-24(30(2,26)27)19-8-4-5-9-20(19)29-21/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,23,25)