2-[[4-(1,3-benzothiazol-2-ylcarbonylamino)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylcarbonylamino)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[4-(1,3-benzothiazole-2-carbonylamino)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[4-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-(1,3-benzothiazole-2-carbonylamino)phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[4-(1,3-benzothiazole-2-carbonylamino)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C25H19N3O5S2 MolecularWeight: 505.56546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H19N3O5S2/c29-23(24-27-20-10-4-5-12-22(20)34-24)26-18-13-15-19(16-14-18)35(32,33)28-21(25(30)31)11-6-9-17-7-2-1-3-8-17/h1-5,7-8,10,12-16,21,28H,11H2,(H,26,29)(H,30,31)