15-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]pentadecyl 4-methylbenzenesulfonate

Systemtic Name: 15-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]pentadecyl 4-methylbenzenesulfonate Openeye Name: 15-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]pentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 15-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]pentadecyl ester IUPAC Name: 15-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]pentadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 15-[(6-piperazinonicotinoyl)amino]pentadecyl ester Formula: C32H50N4O4S MolecularWeight: 586.8288

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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)N3CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCNCC3

InChI

InChI=1S/C32H50N4O4S/c1-28-15-18-30(19-16-28)41(38,39)40-26-14-12-10-8-6-4-2-3-5-7-9-11-13-21-34-32(37)29-17-20-31(35-27-29)36-24-22-33-23-25-36/h15-20,27,33H,2-14,21-26H2,1H3,(H,34,37)