2-(azepan-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-9-10-18(27(25,26)23-13-7-4-8-14-23)15-19(17)21-20(24)16-22-11-5-2-3-6-12-22/h9-10,15H,2-8,11-14,16H2,1H3,(H,21,24)/p+1