ethyl 4-[4-(3-acetamidopropanoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-acetamidopropanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-acetamidopropanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(3-acetamido-1-oxopropyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-acetamidopropanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-acetamidopropanoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-3-27-18(24)15-4-6-16(7-5-15)28(25,26)21-12-10-20(11-13-21)17(23)8-9-19-14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,22)