[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C25H35N3O4S/c1-19(2)21-10-8-20(9-11-21)17-27(3)18-25(29)26-23-16-22(12-13-24(23)32-4)33(30,31)28-14-6-5-7-15-28/h8-13,16,19H,5-7,14-15,17-18H2,1-4H3,(H,26,29)/p+1