[3-(methylsulfonylamino)-5-(phenylcarbamoyl)phenyl]methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [3-(methylsulfonylamino)-5-(phenylcarbamoyl)phenyl]methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)phenyl]methyl-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [3-[anilino(oxo)methyl]-5-(methanesulfonamido)phenyl]methyl-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)phenyl]methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)benzyl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C25H26N5O3S+ MolecularWeight: 476.57064

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CN2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CN2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O3S/c1-34(32,33)29-22-15-19(14-20(16-22)25(31)28-21-8-3-2-4-9-21)17-26-18-23-10-7-13-30(23)24-11-5-6-12-27-24/h2-16,26,29H,17-18H2,1H3,(H,28,31)/p+1