(4-butylphenyl)-[2-methyl-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide

Systemtic Name: (4-butylphenyl)-[2-methyl-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (4-butylphenyl)-[2-methyl-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide CAS Name: (4-butylphenyl)-[2-methyl-5-[[methyl(3-pyridin-1-iumylmethyl)amino]-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (4-butylphenyl)-[2-methyl-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonylazanide Traditional Name: (4-butylphenyl)-[2-methyl-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)CC3=C[NH+]=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)CC3=C[NH+]=CC=C3)C

InChI

InChI=1S/C25H28N3O3S/c1-4-5-7-20-10-13-23(14-11-20)27-32(30,31)24-16-22(12-9-19(24)2)25(29)28(3)18-21-8-6-15-26-17-21/h6,8-17H,4-5,7,18H2,1-3H3/q-1/p+1