1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-[(4-sulfamoylphenyl)methyl]urea

Systemtic Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-[(4-sulfamoylphenyl)methyl]urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-3-[(4-sulfamoylphenyl)methyl]urea CAS Name: 1-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-3-[(4-sulfamoylphenyl)methyl]urea IUPAC Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-[(4-sulfamoylphenyl)methyl]urea Traditional Name: 1-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-3-(4-sulfamoylbenzyl)urea Formula: C19H26N6O3S MolecularWeight: 418.51314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H26N6O3S/c1-24-8-10-25(11-9-24)18-7-4-16(13-21-18)14-23-19(26)22-12-15-2-5-17(6-3-15)29(20,27)28/h2-7,13H,8-12,14H2,1H3,(H2,20,27,28)(H2,22,23,26)