sodium 4-(cyclopropylmethylsulfonyl)-2-(furan-2-ylmethylamino)benzenesulfonate

Systemtic Name: sodium 4-(cyclopropylmethylsulfonyl)-2-(furan-2-ylmethylamino)benzenesulfonate Openeye Name: sodium 4-(cyclopropylmethylsulfonyl)-2-(2-furylmethylamino)benzenesulfonate CAS Name: sodium 4-(cyclopropylmethylsulfonyl)-2-(2-furanylmethylamino)benzenesulfonate IUPAC Name: sodium 4-(cyclopropylmethylsulfonyl)-2-(furan-2-ylmethylamino)benzenesulfonate Traditional Name: sodium 4-(cyclopropylmethylsulfonyl)-2-(2-furfurylamino)besylate Formula: C15H16NNaO6S2 MolecularWeight: 393.41041

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CS(=O)(=O)C2=CC(=C(C=C2)S(=O)(=O)[O-])NCC3=CC=CO3.[Na+]

Isomeric SMILES

C1CC1CS(=O)(=O)C2=CC(=C(C=C2)S(=O)(=O)[O-])NCC3=CC=CO3.[Na+]

InChI

InChI=1S/C15H17NO6S2.Na/c17-23(18,10-11-3-4-11)13-5-6-15(24(19,20)21)14(8-13)16-9-12-2-1-7-22-12;/h1-2,5-8,11,16H,3-4,9-10H2,(H,19,20,21);/q;+1/p-1