N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(phenylsulfonylamino)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(phenylsulfonylamino)propanamide Openeye Name: 3-(benzenesulfonamido)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(benzenesulfonamido)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(benzenesulfonamido)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(benzenesulfonamido)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-2-24-14-16-25(17-15-24)19-10-8-18(9-11-19)23-21(26)12-13-22-29(27,28)20-6-4-3-5-7-20/h3-11,22H,2,12-17H2,1H3,(H,23,26)/p+1