(4-ethoxyphenyl)sulfonyl-[3-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]azanide

Systemtic Name: (4-ethoxyphenyl)sulfonyl-[3-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]azanide Openeye Name: (4-ethoxyphenyl)sulfonyl-[3-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]azanide CAS Name: (4-ethoxyphenyl)sulfonyl-[3-[[methyl(3-pyridin-1-iumylmethyl)amino]-oxomethyl]phenyl]azanide IUPAC Name: (4-ethoxyphenyl)sulfonyl-[3-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]azanide Traditional Name: [3-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]-p-phenetylsulfonyl-azanide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC=CC(=C2)C(=O)N(C)CC3=C[NH+]=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC=CC(=C2)C(=O)N(C)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C22H22N3O4S/c1-3-29-20-9-11-21(12-10-20)30(27,28)24-19-8-4-7-18(14-19)22(26)25(2)16-17-6-5-13-23-15-17/h4-15H,3,16H2,1-2H3/q-1/p+1