[4-[dodecyl(methyl)amino]-2-(phenylmethyl)sulfonyl-phenyl]iminoazanium

Systemtic Name: [4-[dodecyl(methyl)amino]-2-(phenylmethyl)sulfonyl-phenyl]iminoazanium Openeye Name: [2-benzylsulfonyl-4-[dodecyl(methyl)amino]phenyl]iminoammonium CAS Name: [4-[dodecyl(methyl)amino]-2-(phenylmethyl)sulfonylphenyl]iminoammonium IUPAC Name: [2-benzylsulfonyl-4-[dodecyl(methyl)amino]phenyl]iminoazanium Traditional Name: [2-benzylsulfonyl-4-[lauryl(methyl)amino]phenyl]iminoammonium Formula: C26H40N3O2S+ MolecularWeight: 458.6797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C)C1=CC(=C(C=C1)N=[NH2+])S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCN(C)C1=CC(=C(C=C1)N=[NH2+])S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C26H39N3O2S/c1-3-4-5-6-7-8-9-10-11-15-20-29(2)24-18-19-25(28-27)26(21-24)32(30,31)22-23-16-13-12-14-17-23/h12-14,16-19,21,27H,3-11,15,20,22H2,1-2H3/p+1