tert-butyl 3-[2-azanyl-1-(4-methoxyphenyl)sulfonyl-2-oxidanylidene-1-[(phenylmethyl)amino]ethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-azanyl-1-(4-methoxyphenyl)sulfonyl-2-oxidanylidene-1-[(phenylmethyl)amino]ethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[2-amino-1-(benzylamino)-1-(4-methoxyphenyl)sulfonyl-2-oxo-ethyl]pyrrolidine-1-carboxylate CAS Name: 3-[2-amino-1-(4-methoxyphenyl)sulfonyl-2-oxo-1-[(phenylmethyl)amino]ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-amino-1-(benzylamino)-1-(4-methoxyphenyl)sulfonyl-2-oxoethyl]pyrrolidine-1-carboxylate Traditional Name: 3-[2-amino-1-(benzylamino)-2-keto-1-(4-methoxyphenyl)sulfonyl-ethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)C(C(=O)N)(NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)C(C(=O)N)(NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N3O6S/c1-24(2,3)34-23(30)28-15-14-19(17-28)25(22(26)29,27-16-18-8-6-5-7-9-18)35(31,32)21-12-10-20(33-4)11-13-21/h5-13,19,27H,14-17H2,1-4H3,(H2,26,29)