[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H29N3O5S/c1-16-19(28-18-9-5-4-8-17(18)27-16)20(24)21-12-14-23(15-13-21)29(25,26)22-10-6-2-3-7-11-22/h4-5,8-9,16,19H,2-3,6-7,10-15H2,1H3