N-[7-[2,3-bis(4-hydroxyphenyl)pentylsulfanyl]heptyl]-5-(dimethylamino)naphthalene-1-sulfonamide

Systemtic Name: N-[7-[2,3-bis(4-hydroxyphenyl)pentylsulfanyl]heptyl]-5-(dimethylamino)naphthalene-1-sulfonamide Openeye Name: N-[7-[2,3-bis(4-hydroxyphenyl)pentylsulfanyl]heptyl]-5-(dimethylamino)naphthalene-1-sulfonamide CAS Name: N-[7-[2,3-bis(4-hydroxyphenyl)pentylthio]heptyl]-5-(dimethylamino)-1-naphthalenesulfonamide IUPAC Name: N-[7-[2,3-bis(4-hydroxyphenyl)pentylsulfanyl]heptyl]-5-(dimethylamino)naphthalene-1-sulfonamide Traditional Name: N-[7-[2,3-bis(4-hydroxyphenyl)pentylthio]heptyl]-5-(dimethylamino)naphthalene-1-sulfonamide Formula: C36H46N2O4S2 MolecularWeight: 634.89144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CSCCCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C4=CC=C(C=C4)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)O)C(CSCCCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C4=CC=C(C=C4)O

InChI

InChI=1S/C36H46N2O4S2/c1-4-31(27-16-20-29(39)21-17-27)34(28-18-22-30(40)23-19-28)26-43-25-9-7-5-6-8-24-37-44(41,42)36-15-11-12-32-33(36)13-10-14-35(32)38(2)3/h10-23,31,34,37,39-40H,4-9,24-26H2,1-3H3