N1-ethyl-N4-phenethyl-N1-(phenylmethyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N1-ethyl-N4-phenethyl-N1-(phenylmethyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N1-benzyl-N1-ethyl-N4-phenethyl-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N1-ethyl-N4-phenethyl-N1-(phenylmethyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-benzyl-1-N-ethyl-4-N-phenethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N-benzyl-N-ethyl-N'-phenethyl-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C28H30N2O4S3 MolecularWeight: 554.7438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C28H30N2O4S3/c1-2-29(22-25-12-7-4-8-13-25)36(31,32)27-15-17-28(18-16-27)37(33,34)30(23-26-14-9-21-35-26)20-19-24-10-5-3-6-11-24/h3-18,21H,2,19-20,22-23H2,1H3