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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(benzenesulfonyl)piperidine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(benzenesulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(benzenesulfonyl)piperidine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-besyl-nipecotamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c1-14(26)22-16-9-10-18-19(12-16)30-21(23-18)24-20(27)15-6-5-11-25(13-15)31(28,29)17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,26)(H,23,24,27)