4-(cyclopropylmethylsulfonyl)-2-(furan-2-ylmethylamino)benzenesulfonic acid

Systemtic Name: 4-(cyclopropylmethylsulfonyl)-2-(furan-2-ylmethylamino)benzenesulfonic acid Openeye Name: 4-(cyclopropylmethylsulfonyl)-2-(2-furylmethylamino)benzenesulfonic acid CAS Name: 4-(cyclopropylmethylsulfonyl)-2-(2-furanylmethylamino)benzenesulfonic acid IUPAC Name: 4-(cyclopropylmethylsulfonyl)-2-(furan-2-ylmethylamino)benzenesulfonic acid Traditional Name: 4-(cyclopropylmethylsulfonyl)-2-(2-furfurylamino)besylic acid Formula: C15H17NO6S2 MolecularWeight: 371.42858

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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

Isomeric SMILES

C1CC1CS(=O)(=O)C2=CC(=C(C=C2)S(=O)(=O)O)NCC3=CC=CO3

InChI

InChI=1S/C15H17NO6S2/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)