N1-cyclopentyl-N4-[[(2S)-oxolan-2-yl]methyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N1-cyclopentyl-N4-[[(2S)-oxolan-2-yl]methyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N1-cyclopentyl-N4-[[(2S)-tetrahydrofuran-2-yl]methyl]-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N1-cyclopentyl-N4-[[(2S)-2-oxolanyl]methyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-cyclopentyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N-cyclopentyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C21H28N2O5S3 MolecularWeight: 484.65242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3CCCO3)CC4=CC=CS4

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C[C@@H]3CCCO3)CC4=CC=CS4

InChI

InChI=1S/C21H28N2O5S3/c24-30(25,22-17-5-1-2-6-17)20-9-11-21(12-10-20)31(26,27)23(15-18-7-3-13-28-18)16-19-8-4-14-29-19/h4,8-12,14,17-18,22H,1-3,5-7,13,15-16H2/t18-/m0/s1