5-methylsulfonyl-N-[1-(4-piperidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-[1-(4-piperidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[1-[4-(1-piperidyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[1-[4-(1-piperidinyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[1-(4-piperidin-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[1-(4-piperidinophenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O4S/c1-18(19-10-12-20(13-11-19)26-15-6-3-7-16-26)25-24(28)23-14-17-27(32(2,29)30)21-8-4-5-9-22(21)31-23/h4-5,8-13,18,23H,3,6-7,14-17H2,1-2H3,(H,25,28)