2-azanyl-2-(3,4-dimethoxyphenyl)sulfonyl-2-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-(3,4-dimethoxyphenyl)sulfonyl-2-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]ethanoic acid Openeye Name: 2-amino-2-(3,4-dimethoxyphenyl)sulfonyl-2-[4-(4-oxo-1-piperidyl)phenyl]acetic acid CAS Name: 2-amino-2-(3,4-dimethoxyphenyl)sulfonyl-2-[4-(4-oxo-1-piperidinyl)phenyl]acetic acid IUPAC Name: 2-amino-2-(3,4-dimethoxyphenyl)sulfonyl-2-[4-(4-oxopiperidin-1-yl)phenyl]acetic acid Traditional Name: 2-amino-2-(3,4-dimethoxyphenyl)sulfonyl-2-[4-(4-ketopiperidino)phenyl]acetic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)N3CCC(=O)CC3)(C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)N3CCC(=O)CC3)(C(=O)O)N)OC

InChI

InChI=1S/C21H24N2O7S/c1-29-18-8-7-17(13-19(18)30-2)31(27,28)21(22,20(25)26)14-3-5-15(6-4-14)23-11-9-16(24)10-12-23/h3-8,13H,9-12,22H2,1-2H3,(H,25,26)