N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-mesyl-isonipecotamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O3S2/c1-3-4-5-13-6-7-15-16(12-13)25-18(19-15)20-17(22)14-8-10-21(11-9-14)26(2,23)24/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,20,22)