N-[(4-methylphenyl)methyl]-N'-(2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl)ethanediamide

Systemtic Name: N-[(4-methylphenyl)methyl]-N'-(2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl)ethanediamide Openeye Name: N-(p-tolylmethyl)-N'-[2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]oxamide CAS Name: N-[(4-methylphenyl)methyl]-N'-[2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]oxamide IUPAC Name: N-[(4-methylphenyl)methyl]-N'-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)oxamide Traditional Name: N-(4-methylbenzyl)-N'-[2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]oxamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O4S2/c1-15-6-8-16(9-7-15)12-23-20(25)21(26)24-14-18(17-4-2-10-22-13-17)30(27,28)19-5-3-11-29-19/h2-11,13,18H,12,14H2,1H3,(H,23,25)(H,24,26)