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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C5=NC6=CC=CC=C6S5

InChI

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