N-[2-(2,4-dimethylphenoxy)ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[2-(2,4-dimethylphenoxy)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-17-8-9-20(18(2)16-17)28-15-10-22-21(25)23-11-13-24(14-12-23)29(26,27)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,25)