2-[[4-[(2-methyl-4-pentyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[(2-methyl-4-pentyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[(2-methyl-4-pentyl-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[(2-methyl-4-pentyl-5-thiazolyl)methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[(2-methyl-4-pentyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[(4-amyl-2-methyl-thiazol-5-yl)methyl]phenyl]carbamoyl]besylic acid Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC(=N1)C)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCC1=C(SC(=N1)C)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C23H26N2O4S2/c1-3-4-5-9-20-21(30-16(2)24-20)15-17-11-13-18(14-12-17)25-23(26)19-8-6-7-10-22(19)31(27,28)29/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,25,26)(H,27,28,29)