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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)propanamide Openeye Name: 3-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propanamide CAS Name: 3-(2-tert-butyl-4,6-diphenyl-1-pyridin-1-iumyl)-N-[4-(diaminomethylideneamino)sulfonylphenyl]propanamide IUPAC Name: 3-(2-tert-butyl-4,6-diphenylpyridin-1-ium-1-yl)-N-[4-(diaminomethylideneamino)sulfonylphenyl]propanamide Traditional Name: 3-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propionamide Formula: C31H34N5O3S+ MolecularWeight: 556.69836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C31H33N5O3S/c1-31(2,3)28-21-24(22-10-6-4-7-11-22)20-27(23-12-8-5-9-13-23)36(28)19-18-29(37)34-25-14-16-26(17-15-25)40(38,39)35-30(32)33/h4-17,20-21H,18-19H2,1-3H3,(H4-,32,33,34,35,37)/p+1