ethyl 4-[4-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H29N3O6S/c1-4-32-23(28)18-8-10-21(11-9-18)33(29,30)26-14-12-25(13-15-26)17(2)22(27)24-19-6-5-7-20(16-19)31-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,27)/p+1/t17-/m1/s1