N-(2-ethylsulfanylphenyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-ethylsulfanylphenyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-ethylsulfanylphenyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(ethylthio)phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-ethylsulfanylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(ethylthio)phenyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-3-27-19-10-6-5-9-18(19)22-21(24)17-12-11-16(2)20(15-17)28(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)