N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-13-5-6-14(2)18-17(13)22-20(28-18)23-19(25)15-7-10-24(11-8-15)29(26,27)16-4-3-9-21-12-16/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,22,23,25)