(2S)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-phenoxy-propanamide

Systemtic Name: (2S)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-phenoxy-propanamide Openeye Name: (2S)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-phenoxy-propanamide CAS Name: (2S)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-phenoxypropanamide IUPAC Name: (2S)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxypropanamide Traditional Name: (2S)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-phenoxy-propionamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C)OC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C)OC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4S/c1-20(33-21-9-5-3-6-10-21)25(30)26-23-19-22(34(31,32)29-13-7-4-8-14-29)11-12-24(23)28-17-15-27(2)16-18-28/h3,5-6,9-12,19-20H,4,7-8,13-18H2,1-2H3,(H,26,30)/p+1/t20-/m0/s1