3-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-4-oxidanylidene-4-piperidin-1-yl-butanoic acid

Systemtic Name: 3-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-4-oxidanylidene-4-piperidin-1-yl-butanoic acid Openeye Name: 3-[[2-(2-naphthylsulfonylamino)acetyl]amino]-4-oxo-4-(1-piperidyl)butanoic acid CAS Name: 3-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-4-oxo-4-(1-piperidinyl)butanoic acid IUPAC Name: 3-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-4-oxo-4-piperidin-1-ylbutanoic acid Traditional Name: 4-keto-3-[[2-(2-naphthylsulfonylamino)acetyl]amino]-4-piperidino-butyric acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC(=O)O)NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC(=O)O)NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H25N3O6S/c25-19(23-18(13-20(26)27)21(28)24-10-4-1-5-11-24)14-22-31(29,30)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,18,22H,1,4-5,10-11,13-14H2,(H,23,25)(H,26,27)