(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-20(26-16-18-27(19-17-26)22-8-4-2-5-9-22)24(29)25-21-10-12-23(13-11-21)32(30,31)28-14-6-3-7-15-28/h2,4-5,8-13,20H,3,6-7,14-19H2,1H3,(H,25,29)/p+1/t20-/m0/s1