N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-tosyl-piperazine-1-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O5S/c1-16-3-6-19(7-4-16)31(27,28)25-11-9-24(10-12-25)22(26)23-17(2)18-5-8-20-21(15-18)30-14-13-29-20/h3-8,15,17H,9-14H2,1-2H3,(H,23,26)