N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-ketocinnolin-1-yl)propionamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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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=C4C(=O)C=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C24H28N4O5S/c1-33-23-11-10-18(34(31,32)27-13-6-2-3-7-14-27)16-20(23)26-24(30)12-15-28-21-9-5-4-8-19(21)22(29)17-25-28/h4-5,8-11,16-17H,2-3,6-7,12-15H2,1H3,(H,26,30)