N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phthalimido-propionamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O5S/c1-16-11-12-18(15-21(16)33(31,32)26-13-7-3-4-8-14-26)25-22(28)17(2)27-23(29)19-9-5-6-10-20(19)24(27)30/h5-6,9-12,15,17H,3-4,7-8,13-14H2,1-2H3,(H,25,28)