quinolin-8-ylmethyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: quinolin-8-ylmethyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 8-quinolylmethyl (E)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-propenoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-indolin-1-ylsulfonylphenyl)acrylic acid 8-quinolylmethyl ester Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)OCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)OCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H22N2O4S/c30-26(33-19-23-7-3-6-22-8-4-17-28-27(22)23)15-12-20-10-13-24(14-11-20)34(31,32)29-18-16-21-5-1-2-9-25(21)29/h1-15,17H,16,18-19H2/b15-12+