2-[[4-oxidanylidene-6-[(4-propan-2-ylphenyl)sulfamoyl]-1H-quinolin-3-yl]carbonylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 2-[[4-oxidanylidene-6-[(4-propan-2-ylphenyl)sulfamoyl]-1H-quinolin-3-yl]carbonylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[[6-[(4-isopropylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]amino]ethyl]ammonium CAS Name: 2-[[oxo-[4-oxo-6-[(4-propan-2-ylphenyl)sulfamoyl]-1H-quinolin-3-yl]methyl]amino]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[[4-oxo-6-[(4-propan-2-ylphenyl)sulfamoyl]-1H-quinoline-3-carbonyl]amino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-[[4-keto-6-(p-cumenylsulfamoyl)-1H-quinoline-3-carbonyl]amino]ethyl]ammonium Formula: C31H37N4O4S+ MolecularWeight: 561.71488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC[NH+](CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC[NH+](CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H36N4O4S/c1-21(2)24-10-12-25(13-11-24)34-40(38,39)26-14-15-29-27(18-26)30(36)28(19-33-29)31(37)32-16-17-35(22(3)4)20-23-8-6-5-7-9-23/h5-15,18-19,21-22,34H,16-17,20H2,1-4H3,(H,32,37)(H,33,36)/p+1