methyl 4-[(2S)-3-[4-(4-ethoxycarbonylphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-3-[4-(4-ethoxycarbonylphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-3-[4-(4-ethoxycarbonylphenyl)sulfonylpiperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[4-(4-ethoxycarbonylphenyl)sulfonyl-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-[4-(4-ethoxycarbonylphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[4-(4-carbethoxyphenyl)sulfonylpiperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C24H30N2O8S MolecularWeight: 506.5686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@@H](COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C24H30N2O8S/c1-3-33-24(29)19-6-10-22(11-7-19)35(30,31)26-14-12-25(13-15-26)16-20(27)17-34-21-8-4-18(5-9-21)23(28)32-2/h4-11,20,27H,3,12-17H2,1-2H3/t20-/m0/s1