(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H34N4O4S/c1-3-33-24-9-5-4-8-23(24)28-18-16-27(17-19-28)20(2)25(30)26-21-10-12-22(13-11-21)34(31,32)29-14-6-7-15-29/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,26,30)/p+1/t20-/m1/s1