2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O4S3/c1-2-29-18-11-10-16(14-20(18)32(27,28)25-12-6-3-7-13-25)23-21(26)15-30-22-24-17-8-4-5-9-19(17)31-22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,26)