[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]ammonium Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](CC=C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-3-15-27(19-21-11-7-5-8-12-21)20-25(29)26-23-18-22(13-14-24(23)32-4-2)33(30,31)28-16-9-6-10-17-28/h3,5,7-8,11-14,18H,1,4,6,9-10,15-17,19-20H2,2H3,(H,26,29)/p+1