N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-(1-piperidylsulfonyl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-piperidinosulfonyl-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C25H28N2O5S3 MolecularWeight: 532.69522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C25H28N2O5S3/c1-19-7-11-21(12-8-19)34(29,30)24(23-6-5-17-33-23)18-26-25(28)20-9-13-22(14-10-20)35(31,32)27-15-3-2-4-16-27/h5-14,17,24H,2-4,15-16,18H2,1H3,(H,26,28)