4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoic acid CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoic acid Traditional Name: 4-(4-methylpiperazino)sulfonyl-2-propoxy-benzoic acid Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)O

InChI

InChI=1S/C15H22N2O5S/c1-3-10-22-14-11-12(4-5-13(14)15(18)19)23(20,21)17-8-6-16(2)7-9-17/h4-5,11H,3,6-10H2,1-2H3,(H,18,19)