3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-(8-quinolinyloxymethyl)phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]acrylonitrile Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H20N2O4S/c1-31-24-13-12-19(16-23(17-27)33(29,30)22-9-3-2-4-10-22)15-21(24)18-32-25-11-5-7-20-8-6-14-28-26(20)25/h2-16H,18H2,1H3