N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H29N3O6S/c1-32-21-13-12-18(34(30,31)26-14-6-2-3-7-15-26)17-19(21)25-23(28)11-8-16-27-20-9-4-5-10-22(20)33-24(27)29/h4-5,9-10,12-13,17H,2-3,6-8,11,14-16H2,1H3,(H,25,28)