3-(4-methylpiperazin-1-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-methylpiperazin-1-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(4-methylpiperazin-1-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-methylpiperazin-1-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-methylpiperazino)propyl ester Formula: C15H24N2O3S MolecularWeight: 312.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2CCN(CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2CCN(CC2)C

InChI

InChI=1S/C15H24N2O3S/c1-14-4-6-15(7-5-14)21(18,19)20-13-3-8-17-11-9-16(2)10-12-17/h4-7H,3,8-13H2,1-2H3