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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(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(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

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