[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(3-piperidinosulfonylanilino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17(18-9-4-2-5-10-18)22-16-21(25)23-19-11-8-12-20(15-19)28(26,27)24-13-6-3-7-14-24/h2,4-5,8-12,15,17,22H,3,6-7,13-14,16H2,1H3,(H,23,25)/p+1/t17-/m1/s1