3,4,5-trimethoxy-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2S)-2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]benzamide Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O6S2/c1-27-16-10-15(11-17(28-2)20(16)29-3)21(24)23-13-18(14-6-4-8-22-12-14)31(25,26)19-7-5-9-30-19/h4-12,18H,13H2,1-3H3,(H,23,24)/t18-/m1/s1