[2-methyl-5-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-phenyl-azanide

Systemtic Name: [2-methyl-5-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-phenyl-azanide Openeye Name: [2-methyl-5-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-phenyl-azanide CAS Name: [2-methyl-5-[oxo-(2-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-phenylazanide IUPAC Name: [2-methyl-5-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-phenylazanide Traditional Name: [2-methyl-5-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-phenyl-azanide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[NH+]2)S(=O)(=O)[N-]C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[NH+]2)S(=O)(=O)[N-]C3=CC=CC=C3

InChI

InChI=1S/C20H18N3O3S/c1-15-10-11-16(20(24)22-14-18-9-5-6-12-21-18)13-19(15)27(25,26)23-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,22,24)/q-1/p+1