N-[(4-butylphenyl)-thiophen-2-yl-methyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[(4-butylphenyl)-thiophen-2-yl-methyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H27N3O3S2/c1-3-4-6-19-8-12-21(13-9-19)25(23-7-5-16-32-23)27-24(29)18-28(2)33(30,31)22-14-10-20(17-26)11-15-22/h5,7-16,25H,3-4,6,18H2,1-2H3,(H,27,29)