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4-[4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoyl]piperazin-1-yl]sulfonylbenzoic acid
4-[4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoyl]piperazin-1-yl]sulfonylbenzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC
Isomeric SMILES
CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H29N3O8S2/c1-16(2)21(24-35(30,31)19-10-6-18(34-3)7-11-19)22(27)25-12-14-26(15-13-25)36(32,33)20-8-4-17(5-9-20)23(28)29/h4-11,16,21,24H,12-15H2,1-3H3,(H,28,29)
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