N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S3/c1-12-4-2-5-14-16(12)19-18(26-14)20-17(22)13-7-9-21(10-8-13)27(23,24)15-6-3-11-25-15/h2-6,11,13H,7-10H2,1H3,(H,19,20,22)