tert-butyl 3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C21H31N3O6S/c1-21(2,3)30-20(27)23-10-6-7-15(14-23)19(26)22-17-13-16(8-9-18(17)25)31(28,29)24-11-4-5-12-24/h8-9,13,15,25H,4-7,10-12,14H2,1-3H3,(H,22,26)