methyl 1-[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(N-mesyl-3-methyl-anilino)methyl]benzoyl]isonipecotic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O5S/c1-17-5-4-6-21(15-17)25(31(3,28)29)16-18-7-9-19(10-8-18)22(26)24-13-11-20(12-14-24)23(27)30-2/h4-10,15,20H,11-14,16H2,1-3H3