N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H22FN3O3S2/c1-13-11-14(2)19-18(12-13)23-21(29-19)24-20(26)15-7-9-25(10-8-15)30(27,28)17-5-3-16(22)4-6-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24,26)