4-[2-azidoethyl(butyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-azidoethyl(butyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-azidoethyl(butyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: 4-[2-azidoethyl(butyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: 4-[2-azidoethyl(butyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: 4-[2-azidoethyl(butyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCN=[N+]=[N-])C(=O)C(CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCN(CCN=[N+]=[N-])C(=O)C(CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C20H25N5O5S/c1-2-3-11-25(12-10-22-24-21)20(28)18(14-19(26)27)23-31(29,30)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,23H,2-3,10-12,14H2,1H3,(H,26,27)