methyl 1-[3-[(1-methylpyrazol-4-yl)methylamino]-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-[3-[(1-methylpyrazol-4-yl)methylamino]-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-[3-[(1-methylpyrazol-4-yl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzoyl]piperidine-2-carboxylate CAS Name: 1-[[3-[(1-methyl-4-pyrazolyl)methylamino]-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1-methylpyrazol-4-yl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzoyl]piperidine-2-carboxylate Traditional Name: 1-[3-[(1-methylpyrazol-4-yl)methylamino]-5-pyrrolidinosulfonyl-benzoyl]pipecolinic acid methyl ester Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC(=CC(=C2)C(=O)N3CCCCC3C(=O)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC(=CC(=C2)C(=O)N3CCCCC3C(=O)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H31N5O5S/c1-26-16-17(15-25-26)14-24-19-11-18(12-20(13-19)34(31,32)27-8-5-6-9-27)22(29)28-10-4-3-7-21(28)23(30)33-2/h11-13,15-16,21,24H,3-10,14H2,1-2H3