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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

InChI

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