N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H21FN4O4S2 MolecularWeight: 476.544243

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O4S2/c1-13(27)23-16-6-9-18-19(11-16)31-21(24-18)25-20(28)14-3-2-10-26(12-14)32(29,30)17-7-4-15(22)5-8-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,27)(H,24,25,28)