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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-besyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O5S/c24-20(21-15-16-6-7-18-19(14-16)28-13-12-27-18)22-8-10-23(11-9-22)29(25,26)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,21,24)