N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-methyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-diketo-2-methyl-isoindoline-5-carboxamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O5S/c1-15-7-9-17(14-20(15)32(30,31)26-11-5-3-4-6-12-26)24-21(27)16-8-10-18-19(13-16)23(29)25(2)22(18)28/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,27)