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

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17-11-12-20(29(27,28)25-13-7-4-8-14-25)15-21(17)24-22(26)16-23-18(2)19-9-5-3-6-10-19/h3,5-6,9-12,15,18,23H,4,7-8,13-14,16H2,1-2H3,(H,24,26)/p+1/t18-/m1/s1