4-(dipropylamino)-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(dipropylamino)-3-methylsulfonyl-benzoic acid Openeye Name: 4-(dipropylamino)-3-methylsulfonyl-benzoic acid CAS Name: 4-(dipropylamino)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(dipropylamino)-3-methylsulfonylbenzoic acid Traditional Name: 4-(dipropylamino)-3-mesyl-benzoic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H21NO4S/c1-4-8-15(9-5-2)12-7-6-11(14(16)17)10-13(12)20(3,18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)