ethyl (3S)-1-[5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(dimethylsulfamoyl)-2-pyrrolidino-benzoyl]nipecotic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

InChI

InChI=1S/C21H31N3O5S/c1-4-29-21(26)16-8-7-13-24(15-16)20(25)18-14-17(30(27,28)22(2)3)9-10-19(18)23-11-5-6-12-23/h9-10,14,16H,4-8,11-13,15H2,1-3H3/t16-/m0/s1