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

Systemtic Name: N1-cyclopropyl-N4-phenethyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N1-cyclopropyl-N4-phenethyl-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N1-cyclopropyl-N4-phenethyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-cyclopropyl-4-N-phenethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N-cyclopropyl-N'-phenethyl-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C22H24N2O4S3 MolecularWeight: 476.63196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H24N2O4S3/c25-30(26,23-19-8-9-19)21-10-12-22(13-11-21)31(27,28)24(17-20-7-4-16-29-20)15-14-18-5-2-1-3-6-18/h1-7,10-13,16,19,23H,8-9,14-15,17H2