[N'-(phenylmethyl)carbamimidoyl]sulfanyl 5-decyl-2-oxidanyl-benzenesulfonate

Systemtic Name: [N'-(phenylmethyl)carbamimidoyl]sulfanyl 5-decyl-2-oxidanyl-benzenesulfonate Openeye Name: (N'-benzylcarbamimidoyl)sulfanyl 5-decyl-2-hydroxy-benzenesulfonate CAS Name: 5-decyl-2-hydroxybenzenesulfonic acid [[amino-(phenylmethyl)iminomethyl]thio] ester IUPAC Name: (N'-benzylcarbamimidoyl)sulfanyl 5-decyl-2-hydroxybenzenesulfonate Traditional Name: 5-decyl-2-hydroxy-benzenesulfonic acid [(N'-benzylamidino)thio] ester Formula: C24H34N2O4S2 MolecularWeight: 478.66776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)O)S(=O)(=O)OSC(=NCC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)O)S(=O)(=O)OSC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C24H34N2O4S2/c1-2-3-4-5-6-7-8-10-13-20-16-17-22(27)23(18-20)32(28,29)30-31-24(25)26-19-21-14-11-9-12-15-21/h9,11-12,14-18,27H,2-8,10,13,19H2,1H3,(H2,25,26)