N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-homoveratryl-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)OC

InChI

InChI=1S/C21H26N2O5S/c1-5-14-23(29(4,25)26)18-9-7-17(8-10-18)21(24)22-13-12-16-6-11-19(27-2)20(15-16)28-3/h5-11,15H,1,12-14H2,2-4H3,(H,22,24)