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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-mesyl-nipecotamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O4S2/c1-3-23-12-6-7-13-14(9-12)24-16(17-13)18-15(20)11-5-4-8-19(10-11)25(2,21)22/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,18,20)