N-cyclooctyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[2-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[2-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[2-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C25H33N3O4S3 MolecularWeight: 535.74222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H33N3O4S3/c29-23(26-20-9-4-2-1-3-5-10-20)19-34-22-12-7-6-11-21(22)25(30)27-14-16-28(17-15-27)35(31,32)24-13-8-18-33-24/h6-8,11-13,18,20H,1-5,9-10,14-17,19H2,(H,26,29)