3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)propanamide

Systemtic Name: 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)propanamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: 3-(1-methylene-3-oxo-2-isoindolyl)-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]propanamide IUPAC Name: 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H31N3O5S/c1-18(2)34-24-12-11-20(35(32,33)28-14-7-4-8-15-28)17-23(24)27-25(30)13-16-29-19(3)21-9-5-6-10-22(21)26(29)31/h5-6,9-12,17-18H,3-4,7-8,13-16H2,1-2H3,(H,27,30)