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

Systemtic Name: 2-[[4-[(2-azanyl-4-pentyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[(2-amino-4-pentyl-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[(2-amino-4-pentyl-5-thiazolyl)methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[(2-amino-4-pentyl-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[(2-amino-4-amyl-thiazol-5-yl)methyl]phenyl]carbamoyl]besylic acid Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-2-3-4-8-18-19(30-22(23)25-18)14-15-10-12-16(13-11-15)24-21(26)17-7-5-6-9-20(17)31(27,28)29/h5-7,9-13H,2-4,8,14H2,1H3,(H2,23,25)(H,24,26)(H,27,28,29)