N-[(4-methylphenyl)-thiophen-2-yl-methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[p-tolyl(2-thienyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[p-tolyl(2-thienyl)methyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H28N2O3S2/c1-19-6-11-21(12-7-19)25(23-5-4-18-31-23)26-24(28)15-10-20-8-13-22(14-9-20)32(29,30)27-16-2-3-17-27/h4-9,11-14,18,25H,2-3,10,15-17H2,1H3,(H,26,28)