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

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[(2S)-2-besyl-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S2/c1-28-19-11-10-18(13-20(19)29-2)31(26,27)23-15-21(16-7-6-12-22-14-16)30(24,25)17-8-4-3-5-9-17/h3-14,21,23H,15H2,1-2H3/t21-/m1/s1