N-[(3-azanyl-1,2-benzoxazol-5-yl)methyl]-2-[2-methyl-5-[(phenylmethyl)sulfonylamino]pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-azanyl-1,2-benzoxazol-5-yl)methyl]-2-[2-methyl-5-[(phenylmethyl)sulfonylamino]pyridin-1-ium-1-yl]ethanamide Openeye Name: N-[(3-amino-1,2-benzoxazol-5-yl)methyl]-2-[5-(benzylsulfonylamino)-2-methyl-pyridin-1-ium-1-yl]acetamide CAS Name: N-[(3-amino-1,2-benzoxazol-5-yl)methyl]-2-[2-methyl-5-[(phenylmethyl)sulfonylamino]-1-pyridin-1-iumyl]acetamide IUPAC Name: N-[(3-amino-1,2-benzoxazol-5-yl)methyl]-2-[5-(benzylsulfonylamino)-2-methylpyridin-1-ium-1-yl]acetamide Traditional Name: N-[(3-aminoindoxazen-5-yl)methyl]-2-[5-(benzylsulfonylamino)-2-methyl-pyridin-1-ium-1-yl]acetamide Formula: C23H24N5O4S+ MolecularWeight: 466.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)ON=C4N

Isomeric SMILES

CC1=[N+](C=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)ON=C4N

InChI

InChI=1S/C23H23N5O4S/c1-16-7-9-19(27-33(30,31)15-17-5-3-2-4-6-17)13-28(16)14-22(29)25-12-18-8-10-21-20(11-18)23(24)26-32-21/h2-11,13,27H,12,14-15H2,1H3,(H2-,24,25,26,29)/p+1