[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[1-[4-(phenylsulfonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[1-[4-(phenylsulfonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-amino-1-benzyl-2-oxo-ethyl]-[1-[4-(benzenesulfonamido)phenyl]-4-piperidyl]ammonium CAS Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[1-[4-(benzenesulfonamido)phenyl]-4-piperidinyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[1-[4-(benzenesulfonamido)phenyl]piperidin-4-yl]azanium Traditional Name: [(1S)-2-amino-1-benzyl-2-keto-ethyl]-[1-[4-(benzenesulfonamido)phenyl]-4-piperidyl]ammonium Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C(CC2=CC=CC=C2)C(=O)N)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+][C@@H](CC2=CC=CC=C2)C(=O)N)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c27-26(31)25(19-20-7-3-1-4-8-20)28-21-15-17-30(18-16-21)23-13-11-22(12-14-23)29-34(32,33)24-9-5-2-6-10-24/h1-14,21,25,28-29H,15-19H2,(H2,27,31)/p+1/t25-/m0/s1