(3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-ylphenyl)-[(3-sulfamoylphenyl)methylamino]azanium

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-ylphenyl)-[(3-sulfamoylphenyl)methylamino]azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[(3-sulfamoylphenyl)methylamino]ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-(4-propan-2-ylphenyl)-[(3-sulfamoylphenyl)methylamino]ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(4-propan-2-ylphenyl)-[(3-sulfamoylphenyl)methylamino]azanium Traditional Name: acetyl-(3-amidinophenyl)-p-cumenyl-[(3-sulfamoylbenzyl)amino]ammonium Formula: C25H30N5O3S+ MolecularWeight: 480.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C25H30N5O3S/c1-17(2)20-10-12-22(13-11-20)30(18(3)31,23-8-5-7-21(15-23)25(26)27)29-16-19-6-4-9-24(14-19)34(28,32)33/h4-15,17,29H,16H2,1-3H3,(H3,26,27)(H2,28,32,33)/q+1