(2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propan-1-one

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)propan-1-one CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[3-(1-pyrrolidinylsulfonyl)anilino]-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)propan-1-one Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyrrolidinosulfonylanilino)propan-1-one Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

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