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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC(=CC=C2)CNC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)CC2=CC(=CC=C2)CNC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

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