1-(phenylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C19H20N4O5S3 MolecularWeight: 480.5809

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H20N4O5S3/c20-30(25,26)15-8-9-16-17(11-15)29-19(21-16)22-18(24)13-5-4-10-23(12-13)31(27,28)14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H2,20,25,26)(H,21,22,24)