N3-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]benzene-1,3-disulfonamide Openeye Name: N3-[(2S)-2-morpholino-2-(2-thienyl)ethyl]benzene-1,3-disulfonamide CAS Name: N3-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzene-1,3-disulfonamide Traditional Name: N'-[(2S)-2-morpholino-2-(2-thienyl)ethyl]benzene-1,3-disulfonamide Formula: C16H21N3O5S3 MolecularWeight: 431.55004

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C3=CC=CS3

Isomeric SMILES

C1COCCN1[C@@H](CNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C3=CC=CS3

InChI

InChI=1S/C16H21N3O5S3/c17-26(20,21)13-3-1-4-14(11-13)27(22,23)18-12-15(16-5-2-10-25-16)19-6-8-24-9-7-19/h1-5,10-11,15,18H,6-9,12H2,(H2,17,20,21)/t15-/m0/s1