cyclooctyl-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl]ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C20H30N4O3S/c25-20(15-22-16-8-4-2-1-3-5-9-16)23-17-10-6-11-18(14-17)28(26,27)24-19-12-7-13-21-19/h6,10-11,14,16,22H,1-5,7-9,12-13,15H2,(H,21,24)(H,23,25)/p+1