[3-(methylsulfonylamino)-5-(phenylcarbamoyl)phenyl]methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [3-(methylsulfonylamino)-5-(phenylcarbamoyl)phenyl]methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-[[3-(methanesulfonamido)-5-(phenylcarbamoyl)phenyl]methyl]ammonium CAS Name: [3-[anilino(oxo)methyl]-5-(methanesulfonamido)phenyl]methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [3-(methanesulfonamido)-5-(phenylcarbamoyl)phenyl]methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[3-(methanesulfonamido)-5-(phenylcarbamoyl)benzyl]ammonium Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH2+]CC2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH2+]CC2=CC(=CC(=C2)C(=O)NC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C25H29N3O3S/c1-18(2)21-11-9-19(10-12-21)16-26-17-20-13-22(15-24(14-20)28-32(3,30)31)25(29)27-23-7-5-4-6-8-23/h4-15,18,26,28H,16-17H2,1-3H3,(H,27,29)/p+1