(3S)-4-(4-ethoxycarbonylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(4-ethoxycarbonylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(4-ethoxycarbonyl-1-piperidyl)-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-(4-ethoxycarbonyl-1-piperidinyl)-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-(4-ethoxycarbonylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-(4-carbethoxypiperidino)-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H26N2O7S/c1-2-31-22(28)16-9-11-24(12-10-16)21(27)19(14-20(25)26)23-32(29,30)18-8-7-15-5-3-4-6-17(15)13-18/h3-8,13,16,19,23H,2,9-12,14H2,1H3,(H,25,26)/t19-/m0/s1