15-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate

Systemtic Name: 15-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbonylamino]pentadecyl 4-methylbenzenesulfonate Openeye Name: 15-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 15-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-oxomethyl]amino]pentadecyl ester IUPAC Name: 15-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]pentadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 15-[[6-(4-methylpiperazino)nicotinoyl]amino]pentadecyl ester Formula: C33H52N4O4S MolecularWeight: 600.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C33H52N4O4S/c1-29-16-19-31(20-17-29)42(39,40)41-27-15-13-11-9-7-5-3-4-6-8-10-12-14-22-34-33(38)30-18-21-32(35-28-30)37-25-23-36(2)24-26-37/h16-21,28H,3-15,22-27H2,1-2H3,(H,34,38)