N1-butan-2-yl-N4-phenethyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N1-butan-2-yl-N4-phenethyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-phenethyl-N1-sec-butyl-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N1-butan-2-yl-N4-phenethyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-butan-2-yl-4-N-phenethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-phenethyl-N-sec-butyl-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C23H28N2O4S3 MolecularWeight: 492.67442

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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=CC=C2)CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S3/c1-3-19(2)24-31(26,27)22-11-13-23(14-12-22)32(28,29)25(18-21-10-7-17-30-21)16-15-20-8-5-4-6-9-20/h4-14,17,19,24H,3,15-16,18H2,1-2H3