4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]-N-(phenylsulfonyl)butanamide

Systemtic Name: 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]-N-(phenylsulfonyl)butanamide Openeye Name: N-(benzenesulfonyl)-4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanamide CAS Name: N-(benzenesulfonyl)-4-[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanamide IUPAC Name: N-(benzenesulfonyl)-4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanamide Traditional Name: N-besyl-4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyramide Formula: C30H27N3O4S MolecularWeight: 525.61808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H27N3O4S/c1-21(26-16-8-11-22-10-6-7-15-27(22)26)30(35)32-28-20-24(31-2)19-18-23(28)12-9-17-29(34)33-38(36,37)25-13-4-3-5-14-25/h3-8,10-11,13-16,18-21H,9,12,17H2,1H3,(H,32,35)(H,33,34)