4-[2-(ethylamino)-1-[5-(methylsulfonylamino)-2-piperidin-1-yl-phenyl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-(ethylamino)-1-[5-(methylsulfonylamino)-2-piperidin-1-yl-phenyl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-(ethylamino)-1-[5-(methanesulfonamido)-2-(1-piperidyl)phenyl]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-(ethylamino)-1-[5-(methanesulfonamido)-2-(1-piperidinyl)phenyl]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-(ethylamino)-1-[5-(methanesulfonamido)-2-piperidin-1-ylphenyl]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-(ethylamino)-2-keto-1-[5-(methanesulfonamido)-2-piperidino-phenyl]ethyl]benzoic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)NS(=O)(=O)C)N3CCCCC3

Isomeric SMILES

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)NS(=O)(=O)C)N3CCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-3-24-22(27)21(16-7-9-17(10-8-16)23(28)29)19-15-18(25-32(2,30)31)11-12-20(19)26-13-5-4-6-14-26/h7-12,15,21,25H,3-6,13-14H2,1-2H3,(H,24,27)(H,28,29)