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

Systemtic Name: 5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1CCCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C23H30N2O5S/c1-3-17-29-20-12-6-4-9-18(20)10-8-15-24-23(26)22-14-16-25(31(2,27)28)19-11-5-7-13-21(19)30-22/h4-7,9,11-13,22H,3,8,10,14-17H2,1-2H3,(H,24,26)