ethyl 4-[(2R)-3-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-3-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C22H30N4O7S MolecularWeight: 494.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)O

InChI

InChI=1S/C22H30N4O7S/c1-3-32-22(29)16-4-6-18(7-5-16)33-15-17(27)13-25-8-10-26(11-9-25)34(30,31)19-12-20(21(23)28)24(2)14-19/h4-7,12,14,17,27H,3,8-11,13,15H2,1-2H3,(H2,23,28)/t17-/m1/s1