2-(azepan-1-yl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepanyl)-N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]acetamide Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3CCCCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3CCCCCC3

InChI

InChI=1S/C21H34N4O3S/c1-23(2)20-11-10-18(29(27,28)25-14-8-5-9-15-25)16-19(20)22-21(26)17-24-12-6-3-4-7-13-24/h10-11,16H,3-9,12-15,17H2,1-2H3,(H,22,26)