[2-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-[4-ethoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-[4-ethoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-(4-ethoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-(4-ethoxy-3-piperidinosulfonyl-anilino)-2-keto-ethyl]-isopropyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H35N3O4S/c1-4-32-23-14-13-22(17-24(23)33(30,31)28-15-9-6-10-16-28)26-25(29)19-27(20(2)3)18-21-11-7-5-8-12-21/h5,7-8,11-14,17,20H,4,6,9-10,15-16,18-19H2,1-3H3,(H,26,29)/p+1