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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H27N3O6S/c1-31-20-11-10-17(33(29,30)25-13-6-2-3-7-14-25)16-18(20)24-22(27)12-15-26-19-8-4-5-9-21(19)32-23(26)28/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,24,27)