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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C5=NC6=CC=CC=C6S5

InChI

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