2-[[1-[(2S)-1-methoxy-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-[(2S)-1-methoxy-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[(1S)-1-methoxycarbonylheptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[1-[(2S)-1-methoxy-1-oxooctan-2-yl]-4-imidazolyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-[(2S)-1-methoxy-1-oxooctan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[(1S)-1-carbomethoxyheptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC)N1C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCC[C@@H](C(=O)OC)N1C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C19H25N3O6S/c1-3-4-5-6-10-15(19(24)28-2)22-12-17(20-13-22)21-18(23)14-9-7-8-11-16(14)29(25,26)27/h7-9,11-13,15H,3-6,10H2,1-2H3,(H,21,23)(H,25,26,27)/t15-/m0/s1