N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-propyl-pentanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-propyl-pentanamide Openeye Name: 2-propyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]pentanamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-propylpentanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-propylpentanamide Traditional Name: 2-propyl-N-[2-(2-thienyl)-2-tosyl-ethyl]valeramide Formula: C21H29NO3S2 MolecularWeight: 407.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(CCC)C(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H29NO3S2/c1-4-7-17(8-5-2)21(23)22-15-20(19-9-6-14-26-19)27(24,25)18-12-10-16(3)11-13-18/h6,9-14,17,20H,4-5,7-8,15H2,1-3H3,(H,22,23)