N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-2-28-18-20-29(21-19-28)25-9-5-4-8-24(25)27-26(31)15-12-22-10-13-23(14-11-22)34(32,33)30-16-6-3-7-17-30/h4-5,8-11,13-14H,2-3,6-7,12,15-21H2,1H3,(H,27,31)/p+1