tert-butyl N-[1-[2-[ethyl-(1-methylsulfonylpiperidin-3-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[ethyl-(1-methylsulfonylpiperidin-3-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[ethyl-(1-methylsulfonyl-3-piperidyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate CAS Name: N-[1-[2-[ethyl-(1-methylsulfonyl-3-piperidinyl)amino]-4-pyrimidinyl]-1-benzimidazol-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[ethyl-(1-methylsulfonylpiperidin-3-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamate Traditional Name: N-[1-[2-[ethyl-(1-mesyl-3-piperidyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]carbamic acid tert-butyl ester Formula: C24H34N7O4S+ MolecularWeight: 516.63626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1)S(=O)(=O)C)C2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CCN(C1CCCN(C1)S(=O)(=O)C)C2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N7O4S/c1-6-30(18-10-9-15-29(16-18)36(5,33)34)22-25-14-13-21(27-22)31(28-23(32)35-24(2,3)4)17-26-19-11-7-8-12-20(19)31/h7-8,11-14,17-18H,6,9-10,15-16H2,1-5H3/p+1