N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C26H36N4O3S/c1-3-28-16-18-29(19-17-28)25-12-9-23(20-21(25)2)27-26(31)13-8-22-6-10-24(11-7-22)34(32,33)30-14-4-5-15-30/h6-7,9-12,20H,3-5,8,13-19H2,1-2H3,(H,27,31)/p+1