N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O4S/c1-17-8-7-11-23(15-17)16-21(25)22-19-14-18(9-10-20(19)28-2)29(26,27)24-12-5-3-4-6-13-24/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1