2-[2-[(4-carbamimidoylphenyl)methyl]-3-quinolin-8-yl-4-(sulfonylamino)-2H-1,3-benzothiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-quinolin-8-yl-4-(sulfonylamino)-2H-1,3-benzothiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-(8-quinolyl)-4-(sulfonylamino)-2H-1,3-benzothiazol-5-yl]acetic acid CAS Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-(8-quinolinyl)-4-(sulfonylamino)-2H-1,3-benzothiazol-5-yl]acetic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-quinolin-8-yl-4-(sulfonylamino)-2H-1,3-benzothiazol-5-yl]acetic acid Traditional Name: 2-[2-(4-amidinobenzyl)-3-(8-quinolyl)-4-(sulfonylamino)-2H-1,3-benzothiazol-5-yl]acetic acid Formula: C26H21N5O4S2 MolecularWeight: 531.60604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N3C(SC4=C3C(=C(C=C4)CC(=O)O)N=S(=O)=O)CC5=CC=C(C=C5)C(=N)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)N3C(SC4=C3C(=C(C=C4)CC(=O)O)N=S(=O)=O)CC5=CC=C(C=C5)C(=N)N)N=CC=C2

InChI

InChI=1S/C26H21N5O4S2/c27-26(28)17-8-6-15(7-9-17)13-21-31(19-5-1-3-16-4-2-12-29-23(16)19)25-20(36-21)11-10-18(14-22(32)33)24(25)30-37(34)35/h1-12,21H,13-14H2,(H3,27,28)(H,32,33)