N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[[4-(3-methyl-1-piperidyl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[[4-(3-methyl-1-piperidinyl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[4-(3-methylpiperidino)benzyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O4S/c1-18-6-5-14-26(17-18)20-11-9-19(10-12-20)16-25-24(28)23-13-15-27(32(2,29)30)21-7-3-4-8-22(21)31-23/h3-4,7-12,18,23H,5-6,13-17H2,1-2H3,(H,25,28)