ethyl N-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: ethyl N-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Openeye Name: ethyl N-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[6-[(4-methylsulfonyl-1-piperazinyl)methyl]-3-pyridinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[6-[(4-mesylpiperazino)methyl]-3-pyridyl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester Formula: C25H28N8O4S MolecularWeight: 536.60602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)C5=NC=CC=N5

Isomeric SMILES

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)C5=NC=CC=N5

InChI

InChI=1S/C25H28N8O4S/c1-3-37-25(34)31-24-29-21-14-18(13-20(22(21)30-24)23-26-7-4-8-27-23)17-5-6-19(28-15-17)16-32-9-11-33(12-10-32)38(2,35)36/h4-8,13-15H,3,9-12,16H2,1-2H3,(H2,29,30,31,34)