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

Systemtic Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C23H30N4O4S/c1-18(25-14-16-26(17-15-25)21-6-2-3-7-22(21)28)23(29)24-19-8-10-20(11-9-19)32(30,31)27-12-4-5-13-27/h2-3,6-11,18,28H,4-5,12-17H2,1H3,(H,24,29)/p+1/t18-/m1/s1