ethanedioic acid; N-(3-morpholin-4-ylpropyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: ethanedioic acid; N-(3-morpholin-4-ylpropyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: N-(3-morpholinopropyl)-4-nitro-N-(2-thienylmethyl)benzenesulfonamide; oxalic acid CAS Name: N-[3-(4-morpholinyl)propyl]-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide; oxalic acid IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide; oxalic acid Traditional Name: N-(3-morpholinopropyl)-4-nitro-N-(2-thenyl)benzenesulfonamide; oxalic acid Formula: C20H25N3O9S2 MolecularWeight: 515.5572

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O5S2.C2H2O4/c22-21(23)16-4-6-18(7-5-16)28(24,25)20(15-17-3-1-14-27-17)9-2-8-19-10-12-26-13-11-19;3-1(4)2(5)6/h1,3-7,14H,2,8-13,15H2;(H,3,4)(H,5,6)