2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(4-isobutyrylpiperazino)-5-piperidinosulfonyl-benzoic acid Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C20H29N3O5S/c1-15(2)19(24)22-12-10-21(11-13-22)18-7-6-16(14-17(18)20(25)26)29(27,28)23-8-4-3-5-9-23/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,25,26)