[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N2O5S2/c20-17(15-12-23-13-4-1-2-5-14(13)24-15)18-7-9-19(10-8-18)26(21,22)16-6-3-11-25-16/h1-6,11,15H,7-10,12H2/t15-/m0/s1