3-[2-[[2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]benzenesulfonic acid

Systemtic Name: 3-[2-[[2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]benzenesulfonic acid Openeye Name: 3-[2-[[2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-methyl-amino]-2-oxo-ethyl]benzenesulfonic acid CAS Name: 3-[2-[[2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-methylamino]-2-oxoethyl]benzenesulfonic acid IUPAC Name: 3-[2-[[2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-methylamino]-2-oxoethyl]benzenesulfonic acid Traditional Name: 3-[2-keto-2-[methyl-[2-(3-pyrrolin-1-yl)cyclohexyl]amino]ethyl]besylic acid Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1N2CC=CC2)C(=O)CC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CN(C1CCCCC1N2CC=CC2)C(=O)CC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C19H26N2O4S/c1-20(17-9-2-3-10-18(17)21-11-4-5-12-21)19(22)14-15-7-6-8-16(13-15)26(23,24)25/h4-8,13,17-18H,2-3,9-12,14H2,1H3,(H,23,24,25)