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3-butylsulfonyl-4-piperidin-1-yl-benzoic acid

3-butylsulfonyl-4-piperidin-1-yl-benzoic acid

Systemtic Name:3-butylsulfonyl-4-piperidin-1-yl-benzoic acid
Openeye Name:3-butylsulfonyl-4-(1-piperidyl)benzoic acid
CAS Name:3-butylsulfonyl-4-(1-piperidinyl)benzoic acid
IUPAC Name:3-butylsulfonyl-4-piperidin-1-ylbenzoic acid
Traditional Name:3-butylsulfonyl-4-piperidino-benzoic acid
Formula: C16H23NO4S
MolecularWeight: 325.42312
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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCCC2


Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCCC2


InChI

InChI=1S/C16H23NO4S/c1-2-3-11-22(20,21)15-12-13(16(18)19)7-8-14(15)17-9-5-4-6-10-17/h7-8,12H,2-6,9-11H2,1H3,(H,18,19)


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