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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[3-(2-propoxyphenyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1CCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C23H29ClN2O5S/c1-3-15-30-20-9-5-4-7-17(20)8-6-13-25-23(27)22-12-14-26(32(2,28)29)19-16-18(24)10-11-21(19)31-22/h4-5,7,9-11,16,22H,3,6,8,12-15H2,1-2H3,(H,25,27)