(E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(3-oxidanylpropyl)prop-2-enamide

Systemtic Name: (E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(3-oxidanylpropyl)prop-2-enamide Openeye Name: (E)-N-(3-hydroxypropyl)-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(3-hydroxypropyl)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(3-hydroxypropyl)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide Traditional Name: (E)-N-(3-hydroxypropyl)-3-(1-tosylindol-3-yl)acrylamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=CC(=O)NCCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C/C(=O)NCCCO

InChI

InChI=1S/C21H22N2O4S/c1-16-7-10-18(11-8-16)28(26,27)23-15-17(19-5-2-3-6-20(19)23)9-12-21(25)22-13-4-14-24/h2-3,5-12,15,24H,4,13-14H2,1H3,(H,22,25)/b12-9+