4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1-(p-tolylsulfonyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-tosyl-N-veratryl-piperazine-2-carboxamide Formula: C28H30ClN7O5S MolecularWeight: 612.0997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC(=C(C=C3)OC)OC)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC(=C(C=C3)OC)OC)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C28H30ClN7O5S/c1-19-4-7-21(8-5-19)42(38,39)36-13-12-34(26-15-25(29)32-28(33-26)35-11-10-30-18-35)17-22(36)27(37)31-16-20-6-9-23(40-2)24(14-20)41-3/h4-11,14-15,18,22H,12-13,16-17H2,1-3H3,(H,31,37)