N-[(2-methylphenyl)methyl]-4-methylsulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-4-methylsulfonyl-piperazine-1-carboxamide Openeye Name: 4-methylsulfonyl-N-(o-tolylmethyl)piperazine-1-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-4-methylsulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide Traditional Name: 4-mesyl-N-(2-methylbenzyl)piperazine-1-carboxamide Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O3S/c1-12-5-3-4-6-13(12)11-15-14(18)16-7-9-17(10-8-16)21(2,19)20/h3-6H,7-11H2,1-2H3,(H,15,18)