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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,6-diphenylpyridin-1-ium-1-yl)propanamide Openeye Name: 3-(2,6-diphenylpyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propanamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,6-diphenyl-1-pyridin-1-iumyl)propanamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,6-diphenylpyridin-1-ium-1-yl)propanamide Traditional Name: 3-(2,6-diphenylpyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propionamide Formula: C27H26N5O3S+ MolecularWeight: 500.59204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=CC=C2)C3=CC=CC=C3)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=CC=C2)C3=CC=CC=C3)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C27H25N5O3S/c28-27(29)31-36(34,35)23-16-14-22(15-17-23)30-26(33)18-19-32-24(20-8-3-1-4-9-20)12-7-13-25(32)21-10-5-2-6-11-21/h1-17H,18-19H2,(H4-,28,29,30,31,33)/p+1