N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[benzenesulfonyl(benzyl)amino]-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[benzenesulfonyl-(phenylmethyl)amino]-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[benzenesulfonyl(benzyl)amino]-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[benzyl(besyl)amino]-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)C

InChI

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