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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O5S/c1-17(21(26)22-18-8-9-19(29-2)20(16-18)30-3)23-12-14-25(15-13-23)31(27,28)24-10-6-4-5-7-11-24/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,22,26)