N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-[2-(m-tolylmethylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-[2-[(3-methylbenzyl)thio]ethyl]benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O3S2/c1-4-13-23(28(3,25)26)20-10-8-19(9-11-20)21(24)22-12-14-27-16-18-7-5-6-17(2)15-18/h4-11,15H,1,12-14,16H2,2-3H3,(H,22,24)