2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-ethylphenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-ethylphenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-ethylphenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(4-ethylphenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-ethylphenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(4-ethylphenyl)propionamide Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H34N4O3S/c1-3-19-8-10-20(11-9-19)22-21(26)18(2)23-14-16-25(17-15-23)29(27,28)24-12-6-4-5-7-13-24/h8-11,18H,3-7,12-17H2,1-2H3,(H,22,26)