4-[5-(1-imidazol-1-ylcyclopropyl)-4-(2-oxidanylidenepyrrolidin-1-yl)pentan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(1-imidazol-1-ylcyclopropyl)-4-(2-oxidanylidenepyrrolidin-1-yl)pentan-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(1-imidazol-1-ylcyclopropyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)butyl]benzenesulfonic acid CAS Name: 4-[5-[1-(1-imidazolyl)cyclopropyl]-4-(2-oxo-1-pyrrolidinyl)pentan-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(1-imidazol-1-ylcyclopropyl)-4-(2-oxopyrrolidin-1-yl)pentan-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(1-imidazol-1-ylcyclopropyl)-3-(2-ketopyrrolidino)-1-methyl-butyl]besylic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1(CC1)N2C=CN=C2)N3CCCC3=O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC(CC(CC1(CC1)N2C=CN=C2)N3CCCC3=O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H27N3O4S/c1-16(17-4-6-19(7-5-17)29(26,27)28)13-18(24-11-2-3-20(24)25)14-21(8-9-21)23-12-10-22-15-23/h4-7,10,12,15-16,18H,2-3,8-9,11,13-14H2,1H3,(H,26,27,28)