1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(3,5-dimethoxyphenyl)propan-1-one Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O5S/c1-28-19-15-18(16-20(17-19)29-2)7-8-21(25)22-11-13-24(14-12-22)30(26,27)23-9-5-3-4-6-10-23/h15-17H,3-14H2,1-2H3