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

Systemtic Name: methyl 1-[3-(cyclopropylmethylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-[3-(cyclopropylmethylamino)-5-pyrrolidin-1-ylsulfonyl-benzoyl]piperidine-2-carboxylate CAS Name: 1-[[3-(cyclopropylmethylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(cyclopropylmethylamino)-5-pyrrolidin-1-ylsulfonylbenzoyl]piperidine-2-carboxylate Traditional Name: 1-[3-(cyclopropylmethylamino)-5-pyrrolidinosulfonyl-benzoyl]pipecolinic acid methyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4CC4

Isomeric SMILES

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4CC4

InChI

InChI=1S/C22H31N3O5S/c1-30-22(27)20-6-2-3-11-25(20)21(26)17-12-18(23-15-16-7-8-16)14-19(13-17)31(28,29)24-9-4-5-10-24/h12-14,16,20,23H,2-11,15H2,1H3