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

Systemtic Name: methyl 1-[3-pyrrolidin-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)phenyl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-[3-pyrrolidin-1-ylsulfonyl-5-(3-thienylmethylamino)benzoyl]piperidine-2-carboxylate CAS Name: 1-[oxo-[3-(1-pyrrolidinylsulfonyl)-5-(3-thiophenylmethylamino)phenyl]methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-pyrrolidin-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)benzoyl]piperidine-2-carboxylate Traditional Name: 1-[3-pyrrolidinosulfonyl-5-(3-thenylamino)benzoyl]pipecolinic acid methyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CSC=C4

Isomeric SMILES

COC(=O)C1CCCCN1C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CSC=C4

InChI

InChI=1S/C23H29N3O5S2/c1-31-23(28)21-6-2-3-10-26(21)22(27)18-12-19(24-15-17-7-11-32-16-17)14-20(13-18)33(29,30)25-8-4-5-9-25/h7,11-14,16,21,24H,2-6,8-10,15H2,1H3