2-(diphenylcarbamoylsulfanyl)ethyl-diethyl-azanium; naphthalene-1,5-disulfonate

Systemtic Name: 2-(diphenylcarbamoylsulfanyl)ethyl-diethyl-azanium; naphthalene-1,5-disulfonate Openeye Name: 2-(diphenylcarbamoylsulfanyl)ethyl-diethyl-ammonium; naphthalene-1,5-disulfonate CAS Name: diethyl-[2-[[oxo-(N-phenylanilino)methyl]thio]ethyl]ammonium; naphthalene-1,5-disulfonate IUPAC Name: 2-(diphenylcarbamoylsulfanyl)ethyl-diethylazanium; naphthalene-1,5-disulfonate Traditional Name: 2-(diphenylcarbamoylthio)ethyl-diethyl-ammonium; naphthalene-1,5-disulfonate Formula: C48H56N4O8S4 MolecularWeight: 945.24024

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.CC[NH+](CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.CC[NH+](CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

InChI

InChI=1S/2C19H24N2OS.C10H8O6S2/c2*1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*5-14H,3-4,15-16H2,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)