2-[[1-[1-[(2-methyl-3-oxidanyl-propyl)amino]-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-[1-[(2-methyl-3-oxidanyl-propyl)amino]-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[1-[(3-hydroxy-2-methyl-propyl)carbamoyl]heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[1-[1-[(3-hydroxy-2-methylpropyl)amino]-1-oxooctan-2-yl]-4-imidazolyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-[1-[(3-hydroxy-2-methylpropyl)amino]-1-oxooctan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[1-[(3-hydroxy-2-methyl-propyl)carbamoyl]heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C22H32N4O6S MolecularWeight: 480.57768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O6S/c1-3-4-5-6-10-18(22(29)23-12-16(2)14-27)26-13-20(24-15-26)25-21(28)17-9-7-8-11-19(17)33(30,31)32/h7-9,11,13,15-16,18,27H,3-6,10,12,14H2,1-2H3,(H,23,29)(H,25,28)(H,30,31,32)