N-(2-methyl-1,3-benzothiazol-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

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