N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-17-7-9-18(10-8-17)31(27,28)25-13-11-16(12-14-25)22(26)23-15-21-24-19-5-3-4-6-20(19)30-21/h3-10,16H,2,11-15H2,1H3,(H,23,26)