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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

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