methyl 1-[3-(2-hydroxyethylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-[3-(2-hydroxyethylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-[3-(2-hydroxyethylamino)-5-pyrrolidin-1-ylsulfonyl-benzoyl]piperidine-2-carboxylate CAS Name: 1-[[3-(2-hydroxyethylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(2-hydroxyethylamino)-5-pyrrolidin-1-ylsulfonylbenzoyl]piperidine-2-carboxylate Traditional Name: 1-[3-(2-hydroxyethylamino)-5-pyrrolidinosulfonyl-benzoyl]pipecolinic acid methyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCCO

Isomeric SMILES

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCCO

InChI

InChI=1S/C20H29N3O6S/c1-29-20(26)18-6-2-3-10-23(18)19(25)15-12-16(21-7-11-24)14-17(13-15)30(27,28)22-8-4-5-9-22/h12-14,18,21,24H,2-11H2,1H3