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

Systemtic Name: [2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-oxo-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]ammonium Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](CC=C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4S/c1-4-15-28(19-22-11-7-5-8-12-22)20-26(30)27-24-18-23(13-14-25(24)33-21(2)3)34(31,32)29-16-9-6-10-17-29/h4-5,7-8,11-14,18,21H,1,6,9-10,15-17,19-20H2,2-3H3,(H,27,30)/p+1