propan-2-yl 4-[[6-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfonylphenyl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[[6-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfonylphenyl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[6-[4-(2-amino-2-oxo-ethyl)sulfonylphenyl]-3-pyridyl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[6-[4-(2-amino-2-oxoethyl)sulfonylphenyl]-3-pyridinyl]oxymethyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[6-[4-(2-amino-2-oxoethyl)sulfonylphenyl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[6-[4-(2-amino-2-keto-ethyl)sulfonylphenyl]-3-pyridyl]oxymethyl]piperidine-1-carboxylic acid isopropyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)CC(=O)N

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)CC(=O)N

InChI

InChI=1S/C23H29N3O6S/c1-16(2)32-23(28)26-11-9-17(10-12-26)14-31-19-5-8-21(25-13-19)18-3-6-20(7-4-18)33(29,30)15-22(24)27/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H2,24,27)