N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)propanamide

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)propanamide Openeye Name: N-(4-guanidinosulfonylphenyl)-3-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)propanamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2-methyl-4,6-diphenyl-1-pyridin-1-iumyl)propanamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)propanamide Traditional Name: N-(4-guanidinosulfonylphenyl)-3-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)propionamide Formula: C28H28N5O3S+ MolecularWeight: 514.61862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O3S/c1-20-18-23(21-8-4-2-5-9-21)19-26(22-10-6-3-7-11-22)33(20)17-16-27(34)31-24-12-14-25(15-13-24)37(35,36)32-28(29)30/h2-15,18-19H,16-17H2,1H3,(H4-,29,30,31,32,34)/p+1