diethyl-[(2S)-1-phenyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-phenyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-phenyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[3-(4-piperidinosulfonylphenyl)propanoylamino]ethyl]-diethyl-ammonium Formula: C27H40N3O3S+ MolecularWeight: 486.6898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C27H39N3O3S/c1-3-29(4-2)25(21-24-11-7-5-8-12-24)22-28-27(31)18-15-23-13-16-26(17-14-23)34(32,33)30-19-9-6-10-20-30/h5,7-8,11-14,16-17,25H,3-4,6,9-10,15,18-22H2,1-2H3,(H,28,31)/p+1/t25-/m0/s1