N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phthalimido-propionamide Formula: C24H27N3O6S MolecularWeight: 485.55268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O6S/c1-33-21-11-10-17(34(31,32)26-13-6-2-3-7-14-26)16-20(21)25-22(28)12-15-27-23(29)18-8-4-5-9-19(18)24(27)30/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,25,28)