tert-butyl (2R)-2-(4-aminophenyl)sulfonyl-2-[(4-ethylmorpholin-4-ium-4-yl)amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2R)-2-(4-aminophenyl)sulfonyl-2-[(4-ethylmorpholin-4-ium-4-yl)amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-(4-aminophenyl)sulfonyl-2-[(4-ethylmorpholin-4-ium-4-yl)amino]-3-methyl-butanoate CAS Name: (2R)-2-(4-aminophenyl)sulfonyl-2-[(4-ethyl-4-morpholin-4-iumyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(4-aminophenyl)sulfonyl-2-[(4-ethylmorpholin-4-ium-4-yl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(4-ethylmorpholin-4-ium-4-yl)amino]-3-methyl-2-sulfanilyl-butyric acid tert-butyl ester Formula: C21H36N3O5S+ MolecularWeight: 442.59264

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCOCC1)NC(C(C)C)(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC[N+]1(CCOCC1)N[C@@](C(C)C)(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C21H36N3O5S/c1-7-24(12-14-28-15-13-24)23-21(16(2)3,19(25)29-20(4,5)6)30(26,27)18-10-8-17(22)9-11-18/h8-11,16,23H,7,12-15,22H2,1-6H3/q+1/t21-/m1/s1