methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-benzoate CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoate Traditional Name: 4-(4-methylpiperazino)sulfonyl-2-propoxy-benzoic acid methyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S/c1-4-11-23-15-12-13(5-6-14(15)16(19)22-3)24(20,21)18-9-7-17(2)8-10-18/h5-6,12H,4,7-11H2,1-3H3