[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1,3-benzodioxol-5-yl)methanone Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O5S/c22-18(15-5-6-16-17(13-15)26-14-25-16)19-9-11-21(12-10-19)27(23,24)20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12,14H2