6-(azepan-1-ylsulfonyl)-N-[2-(dibutylamino)ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(dibutylamino)ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(dibutylamino)ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(dibutylamino)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(dibutylamino)ethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[2-(dibutylamino)ethyl]-2-keto-1H-quinoline-4-carboxamide Formula: C26H40N4O4S MolecularWeight: 504.6852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCN(CCCC)CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H40N4O4S/c1-3-5-14-29(15-6-4-2)18-13-27-26(32)23-20-25(31)28-24-12-11-21(19-22(23)24)35(33,34)30-16-9-7-8-10-17-30/h11-12,19-20H,3-10,13-18H2,1-2H3,(H,27,32)(H,28,31)