N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3S/c30-25(26-14-17-27-18-20-28(21-19-27)23-6-2-1-3-7-23)13-10-22-8-11-24(12-9-22)33(31,32)29-15-4-5-16-29/h1-3,6-9,11-12H,4-5,10,13-21H2,(H,26,30)/p+1