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

Systemtic Name: N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[3-(1-azepanylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(azepan-1-ylmethyl)benzyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC(=C3)CN4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC(=C3)CN4CCCCCC4

InChI

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