3,4-dimethoxy-N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]benzamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2S)-2-besyl-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N2O5S/c1-28-19-11-10-16(13-20(19)29-2)22(25)24-15-21(17-7-6-12-23-14-17)30(26,27)18-8-4-3-5-9-18/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m1/s1