2-[[1-(2-methoxycarbonyl-1-octyl-pyrrolidin-2-yl)imidazol-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-(2-methoxycarbonyl-1-octyl-pyrrolidin-2-yl)imidazol-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-(2-methoxycarbonyl-1-octyl-pyrrolidin-2-yl)imidazol-2-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[1-(2-methoxycarbonyl-1-octyl-2-pyrrolidinyl)-2-imidazolyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-(2-methoxycarbonyl-1-octylpyrrolidin-2-yl)imidazol-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-(2-carbomethoxy-1-octyl-pyrrolidin-2-yl)imidazol-2-yl]carbamoyl]besylic acid Formula: C24H34N4O6S MolecularWeight: 506.61496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCCC1(C(=O)OC)N2C=CN=C2NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCCCN1CCCC1(C(=O)OC)N2C=CN=C2NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C24H34N4O6S/c1-3-4-5-6-7-10-16-27-17-11-14-24(27,22(30)34-2)28-18-15-25-23(28)26-21(29)19-12-8-9-13-20(19)35(31,32)33/h8-9,12-13,15,18H,3-7,10-11,14,16-17H2,1-2H3,(H,25,26,29)(H,31,32,33)