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

Systemtic Name: 2-[[4-[(2-acetamido-4-propyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[(2-acetamido-4-propyl-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[(2-acetamido-4-propyl-5-thiazolyl)methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[(2-acetamido-4-propyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[(2-acetamido-4-propyl-thiazol-5-yl)methyl]phenyl]carbamoyl]besylic acid Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=N1)NC(=O)C)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCC1=C(SC(=N1)NC(=O)C)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C22H23N3O5S2/c1-3-6-18-19(31-22(25-18)23-14(2)26)13-15-9-11-16(12-10-15)24-21(27)17-7-4-5-8-20(17)32(28,29)30/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,27)(H,23,25,26)(H,28,29,30)