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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-butyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O5S/c1-3-4-15-29-25(31)21-12-10-19(16-22(21)26(29)32)24(30)27-20-11-9-18(2)23(17-20)35(33,34)28-13-7-5-6-8-14-28/h9-12,16-17H,3-8,13-15H2,1-2H3,(H,27,30)