1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethylphenoxy)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethylphenoxy)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2,3-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dimethylphenoxy)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(2,3-dimethylphenoxy)propan-1-one Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-18-8-7-9-20(19(18)2)28-17-10-21(25)22-13-15-24(16-14-22)29(26,27)23-11-5-3-4-6-12-23/h7-9H,3-6,10-17H2,1-2H3