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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide 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)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O4S2/c1-13(27)23-16-4-7-18-19(12-16)31-21(24-18)25-20(28)14-8-10-26(11-9-14)32(29,30)17-5-2-15(22)3-6-17/h2-7,12,14H,8-11H2,1H3,(H,23,27)(H,24,25,28)