methyl 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-pyrrolidin-3-yl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-pyrrolidin-3-yl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-pyrrolidin-3-yl-amino]methyl]benzoate CAS Name: 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-(3-pyrrolidinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-pyrrolidin-3-ylamino]methyl]benzoate Traditional Name: 4-[[[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-pyrrolidin-3-yl-amino]methyl]benzoic acid methyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCNC2)S(=O)(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCNC2)S(=O)(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-28-21(25)18-6-2-17(3-7-18)15-24(20-10-12-23-14-20)29(26,27)13-11-16-4-8-19(22)9-5-16/h2-9,11,13,20,23H,10,12,14-15H2,1H3/b13-11+