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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

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