N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenyl-propanamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenyl-propanamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenyl-propanamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-phenylpropanamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenylpropanamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenyl-propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-23-12-14-24(15-13-23)29(26,27)18-9-10-20(28-2)19(16-18)22-21(25)11-8-17-6-4-3-5-7-17/h3-7,9-10,16H,8,11-15H2,1-2H3,(H,22,25)/p+1