methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5-(1-piperidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-(4-isobutyrylpiperazino)-5-piperidinosulfonyl-benzoic acid methyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-16(2)20(25)23-13-11-22(12-14-23)19-8-7-17(15-18(19)21(26)29-3)30(27,28)24-9-5-4-6-10-24/h7-8,15-16H,4-6,9-14H2,1-3H3