2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(3,5-dimethoxyphenyl)propionamide Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H34N4O5S/c1-17(21(26)22-18-14-19(29-2)16-20(15-18)30-3)23-10-12-25(13-11-23)31(27,28)24-8-6-4-5-7-9-24/h14-17H,4-13H2,1-3H3,(H,22,26)