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

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-3-30-22-13-12-20(31(28,29)26-14-8-5-9-15-26)16-21(22)25-23(27)17-24-18(2)19-10-6-4-7-11-19/h4,6-7,10-13,16,18,24H,3,5,8-9,14-15,17H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1