N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H29N3O6S/c1-17(28)27-16-23(33-22-10-6-5-9-20(22)27)24(29)25-19-15-18(11-12-21(19)32-2)34(30,31)26-13-7-3-4-8-14-26/h5-6,9-12,15,23H,3-4,7-8,13-14,16H2,1-2H3,(H,25,29)