methyl 4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-methylpiperazino)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C18H26N4O5S MolecularWeight: 410.48784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H26N4O5S/c1-19-7-11-21(12-8-19)28(25,26)22-13-9-20(10-14-22)17(23)15-3-5-16(6-4-15)18(24)27-2/h3-6H,7-14H2,1-2H3