2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: 2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]acetamide IUPAC Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C25H37N4O4S+ MolecularWeight: 489.65068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C25H36N4O4S/c1-19(2)33-24-12-11-20(34(31,32)29-15-5-4-6-16-29)17-21(24)26-25(30)18-28-14-8-10-23(28)22-9-7-13-27(22)3/h7,9,11-13,17,19,23H,4-6,8,10,14-16,18H2,1-3H3,(H,26,30)/p+1/t23-/m0/s1