[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxy-4-methyl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxy-4-methyl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxy-4-methyl-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3,5-dimethoxy-4-methylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3,5-dimethoxy-4-methyl-phenyl)methanone Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-16-18(27-2)14-17(15-19(16)28-3)20(24)21-10-12-23(13-11-21)29(25,26)22-8-6-4-5-7-9-22/h14-15H,4-13H2,1-3H3