tert-butyl (2S)-2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(4-methoxy-3-morpholinosulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-methoxy-3-morpholinosulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O7S/c1-21(2,3)31-20(26)24-9-5-6-16(24)19(25)22-15-7-8-17(29-4)18(14-15)32(27,28)23-10-12-30-13-11-23/h7-8,14,16H,5-6,9-13H2,1-4H3,(H,22,25)/t16-/m0/s1