N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-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)NCC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCO4)C

InChI

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