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

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-19(25-15-17-26(18-16-25)21-7-3-2-4-8-21)23(28)24-20-9-11-22(12-10-20)31(29,30)27-13-5-6-14-27/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,24,28)/p+1/t19-/m0/s1