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

Systemtic Name: 2-[[4-[(2-azanyl-4-propyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[(2-amino-4-propyl-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[(2-amino-4-propyl-5-thiazolyl)methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[(2-amino-4-propyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[(2-amino-4-propyl-thiazol-5-yl)methyl]phenyl]carbamoyl]besylic acid Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-2-5-16-17(28-20(21)23-16)12-13-8-10-14(11-9-13)22-19(24)15-6-3-4-7-18(15)29(25,26)27/h3-4,6-11H,2,5,12H2,1H3,(H2,21,23)(H,22,24)(H,25,26,27)