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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3,5-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(3,5-dimethylphenoxy)propan-1-one Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H33N3O4S/c1-18-15-19(2)17-20(16-18)28-14-7-21(25)22-10-12-24(13-11-22)29(26,27)23-8-5-3-4-6-9-23/h15-17H,3-14H2,1-2H3