N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(tosylamino)propionamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H30N4O3S/c1-17-4-7-20(8-5-17)30(28,29)23-11-10-22(27)24-21-9-6-19(16-18(21)2)26-14-12-25(3)13-15-26/h4-9,16,23H,10-15H2,1-3H3,(H,24,27)/p+1