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

Systemtic Name: 4-ethoxy-N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[(2S)-2-besyl-2-(3-pyridyl)ethyl]-4-ethoxy-benzenesulfonamide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S2/c1-2-28-18-10-12-20(13-11-18)30(26,27)23-16-21(17-7-6-14-22-15-17)29(24,25)19-8-4-3-5-9-19/h3-15,21,23H,2,16H2,1H3/t21-/m1/s1