3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-(4-sulfamoylbenzyl)benzamide Formula: C25H21N5O4S2 MolecularWeight: 519.59534

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N5O4S2/c26-23-22(25-29-19-6-1-2-7-21(19)35-25)20(31)14-30(23)17-5-3-4-16(12-17)24(32)28-13-15-8-10-18(11-9-15)36(27,33)34/h1-12H,13-14,26H2,(H,28,32)(H2,27,33,34)