N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N1-sec-butyl-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-butan-2-yl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-homoveratryl-N-sec-butyl-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C25H32N2O6S3 MolecularWeight: 552.72638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3

InChI

InChI=1S/C25H32N2O6S3/c1-5-19(2)26-35(28,29)22-9-11-23(12-10-22)36(30,31)27(18-21-7-6-16-34-21)15-14-20-8-13-24(32-3)25(17-20)33-4/h6-13,16-17,19,26H,5,14-15,18H2,1-4H3