4-(2,5-dimethylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-15-5-6-16(2)18(12-15)27(25,26)23-10-8-22(9-11-23)19(24)21-14-17-4-3-7-20-13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,24)