4-(2,5-dimethylphenyl)sulfonyl-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(6-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(6-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=C(C=C3)OC

InChI

InChI=1S/C20H26N4O4S/c1-15-4-5-16(2)18(12-15)29(26,27)24-10-8-23(9-11-24)20(25)22-14-17-6-7-19(28-3)21-13-17/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)