3-[5-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-pyridin-2-ylsulfonyl-butanoic acid

Systemtic Name: 3-[5-[4-[(E)-diazanylidenemethyl]phenyl]pentanoylamino]-4-pyridin-2-ylsulfonyl-butanoic acid Openeye Name: 3-[5-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-(2-pyridylsulfonyl)butanoic acid CAS Name: 3-[[5-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxopentyl]amino]-4-(2-pyridinylsulfonyl)butanoic acid IUPAC Name: 3-[5-[4-[(E)-hydrazinylidenemethyl]phenyl]pentanoylamino]-4-pyridin-2-ylsulfonylbutanoic acid Traditional Name: 3-[5-[4-[(E)-hydrazonomethyl]phenyl]pentanoylamino]-4-(2-pyridylsulfonyl)butyric acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)S(=O)(=O)CC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C=NN

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)CC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C21H26N4O5S/c22-24-14-17-10-8-16(9-11-17)5-1-2-6-19(26)25-18(13-21(27)28)15-31(29,30)20-7-3-4-12-23-20/h3-4,7-12,14,18H,1-2,5-6,13,15,22H2,(H,25,26)(H,27,28)/b24-14+