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

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(2-cyanophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-cyanophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H22N4O5S/c22-13-16-5-1-4-8-20(16)31(27,28)25-11-9-24(10-12-25)21(26)23-14-17-15-29-18-6-2-3-7-19(18)30-17/h1-8,17H,9-12,14-15H2,(H,23,26)