methyl (E)-3-(2-butyl-1-methylsulfonyl-indol-3-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2-butyl-1-methylsulfonyl-indol-3-yl)prop-2-enoate Openeye Name: methyl (E)-3-(2-butyl-1-methylsulfonyl-indol-3-yl)prop-2-enoate CAS Name: (E)-3-(2-butyl-1-methylsulfonyl-3-indolyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-butyl-1-methylsulfonylindol-3-yl)prop-2-enoate Traditional Name: (E)-3-(2-butyl-1-mesyl-indol-3-yl)acrylic acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N1S(=O)(=O)C)C=CC(=O)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N1S(=O)(=O)C)/C=C/C(=O)OC

InChI

InChI=1S/C17H21NO4S/c1-4-5-9-15-14(11-12-17(19)22-2)13-8-6-7-10-16(13)18(15)23(3,20)21/h6-8,10-12H,4-5,9H2,1-3H3/b12-11+