N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O4S2/c1-33-19-10-12-20(13-11-19)35(31,32)29-16-14-18(15-17-29)25(30)27-22-7-3-2-6-21(22)26-28-23-8-4-5-9-24(23)34-26/h2-13,18H,14-17H2,1H3,(H,27,30)