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

Systemtic Name: 3-[(4-methylphenyl)-(phenylsulfonyl)amino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-[N-(benzenesulfonyl)-4-methyl-anilino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(N-besyl-4-methyl-anilino)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-22-12-14-23(15-13-22)31(35(33,34)24-8-4-3-5-9-24)17-16-27(32)28-25-10-6-7-11-26(25)30-20-18-29(2)19-21-30/h3-15H,16-21H2,1-2H3,(H,28,32)/p+1