[4-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-oxomethyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]phenyl]methyl-diethylazanium Traditional Name: [4-[(2-ethoxy-5-piperidinosulfonyl-phenyl)carbamoyl]benzyl]-diethyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OCC

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OCC

InChI

InChI=1S/C25H35N3O4S/c1-4-27(5-2)19-20-10-12-21(13-11-20)25(29)26-23-18-22(14-15-24(23)32-6-3)33(30,31)28-16-8-7-9-17-28/h10-15,18H,4-9,16-17,19H2,1-3H3,(H,26,29)/p+1