16-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]hexadecyl 4-methylbenzenesulfonate

Systemtic Name: 16-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]hexadecyl 4-methylbenzenesulfonate Openeye Name: 16-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]hexadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 16-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]hexadecyl ester IUPAC Name: 16-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]hexadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 16-[(6-piperazinonicotinoyl)amino]hexadecyl ester Formula: C33H52N4O4S MolecularWeight: 600.85538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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