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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phthalimido-propionamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S/c1-16(26-22(28)19-11-4-5-12-20(19)23(26)29)21(27)24-17-9-8-10-18(15-17)32(30,31)25-13-6-2-3-7-14-25/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,24,27)