N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]ethanesulfonamide

Systemtic Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]ethanesulfonamide Openeye Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]ethanesulfonamide CAS Name: N-[4-[[4-(1-benzotriazolyl)-2-pyrimidinyl]amino]cyclohexyl]ethanesulfonamide IUPAC Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]ethanesulfonamide Traditional Name: N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]ethanesulfonamide Formula: C18H23N7O2S MolecularWeight: 401.48592

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1CCC(CC1)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCS(=O)(=O)NC1CCC(CC1)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H23N7O2S/c1-2-28(26,27)23-14-9-7-13(8-10-14)20-18-19-12-11-17(21-18)25-16-6-4-3-5-15(16)22-24-25/h3-6,11-14,23H,2,7-10H2,1H3,(H,19,20,21)