N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(2-thienylsulfonyl)pipecolinamide Formula: C25H25N3O3S4 MolecularWeight: 543.7443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4)S(=O)(=O)C6=CC=CS6

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C25H25N3O3S4/c29-23(18-10-5-6-14-28(18)35(30,31)21-13-7-15-32-21)27-25-22(16-8-1-3-11-19(16)33-25)24-26-17-9-2-4-12-20(17)34-24/h2,4,7,9,12-13,15,18H,1,3,5-6,8,10-11,14H2,(H,27,29)