ethyl 1-[2-[(2,5-dimethoxyphenyl)sulfonyl-(phenylmethyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2,5-dimethoxyphenyl)sulfonyl-(phenylmethyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[benzyl-(2,5-dimethoxyphenyl)sulfonyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2,5-dimethoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[benzyl-(2,5-dimethoxyphenyl)sulfonyl-amino]acetyl]isonipecotic acid ethyl ester Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C25H32N2O7S/c1-4-34-25(29)20-12-14-26(15-13-20)24(28)18-27(17-19-8-6-5-7-9-19)35(30,31)23-16-21(32-2)10-11-22(23)33-3/h5-11,16,20H,4,12-15,17-18H2,1-3H3