1-(3-ethanoylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3-ethanoylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H22N4O6S3 MolecularWeight: 522.61758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H22N4O6S3/c1-13(26)15-3-2-4-17(11-15)34(30,31)25-9-7-14(8-10-25)20(27)24-21-23-18-6-5-16(33(22,28)29)12-19(18)32-21/h2-6,11-12,14H,7-10H2,1H3,(H2,22,28,29)(H,23,24,27)