2-[[1-[1-[(2-ethoxycarbonylphenyl)amino]-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-[1-[(2-ethoxycarbonylphenyl)amino]-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[1-[(2-ethoxycarbonylphenyl)carbamoyl]heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[1-[1-(2-ethoxycarbonylanilino)-1-oxooctan-2-yl]-4-imidazolyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-[1-(2-ethoxycarbonylanilino)-1-oxooctan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[1-[(2-carbethoxyphenyl)carbamoyl]heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C27H32N4O7S MolecularWeight: 556.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=CC=CC=C1C(=O)OCC)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)NC1=CC=CC=C1C(=O)OCC)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C27H32N4O7S/c1-3-5-6-7-15-22(26(33)29-21-14-10-8-12-19(21)27(34)38-4-2)31-17-24(28-18-31)30-25(32)20-13-9-11-16-23(20)39(35,36)37/h8-14,16-18,22H,3-7,15H2,1-2H3,(H,29,33)(H,30,32)(H,35,36,37)