3-azanyl-4-methoxy-benzenesulfonic acid; 6-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 3-azanyl-4-methoxy-benzenesulfonic acid; 6-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 3-amino-4-methoxy-benzenesulfonic acid; 6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 3-amino-4-methoxybenzenesulfonic acid; 6-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 3-amino-4-methoxybenzenesulfonic acid; 6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 3-amino-4-methoxy-besylic acid; 6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C27H27ClN2O11S3 MolecularWeight: 687.15808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)N.C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)N.C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C20H18ClNO7S2.C7H9NO4S/c21-7-8-30(25,26)12-13-1-3-14(4-2-13)20(24)22-16-6-5-15-9-17(31(27,28)29)11-19(23)18(15)10-16;1-12-7-3-2-5(4-6(7)8)13(9,10)11/h1-6,9-11,23H,7-8,12H2,(H,22,24)(H,27,28,29);2-4H,8H2,1H3,(H,9,10,11)