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

Systemtic Name: N-[(3-methylphenyl)methyl]-N'-(2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl)ethanediamide Openeye Name: N-(m-tolylmethyl)-N'-[2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]oxamide CAS Name: N-[(3-methylphenyl)methyl]-N'-[2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]oxamide IUPAC Name: N-[(3-methylphenyl)methyl]-N'-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)oxamide Traditional Name: N-(3-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(=CC=C1)CNC(=O)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

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