(3S)-1-tert-butyl-5-oxidanylidene-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-tert-butyl-5-oxidanylidene-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-tert-butyl-5-oxo-N-[4-(1-piperidylsulfonyl)phenyl]pyrrolidine-3-carboxamide CAS Name: (3S)-1-tert-butyl-5-oxo-N-[4-(1-piperidinylsulfonyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-tert-butyl-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-1-tert-butyl-5-keto-N-(4-piperidinosulfonylphenyl)pyrrolidine-3-carboxamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)N1C[C@H](CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-20(2,3)23-14-15(13-18(23)24)19(25)21-16-7-9-17(10-8-16)28(26,27)22-11-5-4-6-12-22/h7-10,15H,4-6,11-14H2,1-3H3,(H,21,25)/t15-/m0/s1