N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-2,5-dimethoxy-benzenesulfonamide Formula: C21H21ClN2O6S2 MolecularWeight: 496.98424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O6S2/c1-29-17-7-10-19(30-2)20(12-17)32(27,28)24-14-21(15-4-3-11-23-13-15)31(25,26)18-8-5-16(22)6-9-18/h3-13,21,24H,14H2,1-2H3/t21-/m1/s1