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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S/c27-21(12-15-26-22(28)19-10-3-4-11-20(19)23(26)29)24-17-8-7-9-18(16-17)32(30,31)25-13-5-1-2-6-14-25/h3-4,7-11,16H,1-2,5-6,12-15H2,(H,24,27)