N-[cyclopropyl(phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[cyclopropyl(phenyl)methyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[cyclopropyl(phenyl)methyl]-4-tosyl-piperazine-1-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-17-7-11-20(12-8-17)29(27,28)25-15-13-24(14-16-25)22(26)23-21(19-9-10-19)18-5-3-2-4-6-18/h2-8,11-12,19,21H,9-10,13-16H2,1H3,(H,23,26)