N-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-(4-piperidinosulfonylphenyl)benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-16(2)27-20-9-5-4-8-19(20)21(24)22-17-10-12-18(13-11-17)28(25,26)23-14-6-3-7-15-23/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,22,24)