2-[[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1H-quinolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1H-quinolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methyl-ammonium CAS Name: 2-[[[6-(1-azepanylsulfonyl)-2-oxo-1H-quinolin-4-yl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: 2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methylazanium Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-2-keto-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methyl-ammonium Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4S/c1-29(19-20-9-5-4-6-10-20)16-13-27-26(32)23-18-25(31)28-24-12-11-21(17-22(23)24)35(33,34)30-14-7-2-3-8-15-30/h4-6,9-12,17-18H,2-3,7-8,13-16,19H2,1H3,(H,27,32)(H,28,31)/p+1