N-[3-(2-hydroxyethylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)-7-prop-2-ynoxy-isoquinoline-3-carboxamide

Systemtic Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)-7-prop-2-ynoxy-isoquinoline-3-carboxamide Openeye Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-1-(4-isopropylphenyl)-7-prop-2-ynoxy-isoquinoline-3-carboxamide CAS Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)-7-prop-2-ynoxy-3-isoquinolinecarboxamide IUPAC Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-1-(4-propan-2-ylphenyl)-7-prop-2-ynoxyisoquinoline-3-carboxamide Traditional Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-1-p-cumenyl-7-propargyloxy-isoquinoline-3-carboxamide Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=CC(=N2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCO)OCC#C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=CC(=N2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCO)OCC#C

InChI

InChI=1S/C30H28N2O5S/c1-4-15-37-25-13-12-23-17-28(30(34)31-24-6-5-7-26(18-24)38(35,36)16-14-33)32-29(27(23)19-25)22-10-8-21(9-11-22)20(2)3/h1,5-13,17-20,33H,14-16H2,2-3H3,(H,31,34)