[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-17(18-9-5-3-6-10-18)23-16-22(26)24-20-15-19(11-12-21(20)29-2)30(27,28)25-13-7-4-8-14-25/h3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1