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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,3-dioxoisoindolin-2-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-phthalimido-benzamide Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H27N3O5S/c1-19-10-13-21(18-25(19)37(35,36)30-16-6-2-3-7-17-30)29-26(32)20-11-14-22(15-12-20)31-27(33)23-8-4-5-9-24(23)28(31)34/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3,(H,29,32)