2-[(4-aminophenyl)carbonylamino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid

Systemtic Name: 2-[(4-aminophenyl)carbonylamino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid Openeye Name: 2-[(4-aminobenzoyl)amino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid IUPAC Name: 2-[(4-aminobenzoyl)amino]-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid Traditional Name: 2-[(4-aminobenzoyl)amino]-5-(6-methyl-1,3-benzothiazol-2-yl)besylic acid Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O4S2/c1-12-2-8-16-18(10-12)29-21(24-16)14-5-9-17(19(11-14)30(26,27)28)23-20(25)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3,(H,23,25)(H,26,27,28)