3-[[2-(2-naphthalen-1-ylethoxy)-4-piperidin-1-yl-phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-(2-naphthalen-1-ylethoxy)-4-piperidin-1-yl-phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(1-naphthyl)ethoxy]-4-(1-piperidyl)phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[2-(1-naphthalenyl)ethoxy]-4-(1-piperidinyl)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(2-naphthalen-1-ylethoxy)-4-piperidin-1-ylphenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[2-(1-naphthyl)ethoxy]-4-piperidino-phenyl]sulfonylamino]butyric acid Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)S(=O)(=O)NC(CC(=O)O)C=O)OCCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)S(=O)(=O)NC(CC(=O)O)C=O)OCCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H30N2O6S/c30-19-22(17-27(31)32)28-36(33,34)26-12-11-23(29-14-4-1-5-15-29)18-25(26)35-16-13-21-9-6-8-20-7-2-3-10-24(20)21/h2-3,6-12,18-19,22,28H,1,4-5,13-17H2,(H,31,32)