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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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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)CC=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)CC=C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H27N3O5S/c1-3-12-28-24(30)20-11-9-18(15-21(20)25(28)31)23(29)26-19-10-8-17(2)22(16-19)34(32,33)27-13-6-4-5-7-14-27/h3,8-11,15-16H,1,4-7,12-14H2,2H3,(H,26,29)