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

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,7-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=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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