2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid; 6-azanylnaphthalene-2-sulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid; 6-azanylnaphthalene-2-sulfonic acid Openeye Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid; 6-aminonaphthalene-2-sulfonic acid CAS Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid; 6-amino-2-naphthalenesulfonic acid IUPAC Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid; 6-aminonaphthalene-2-sulfonic acid Traditional Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzyl]amino]besylic acid; 6-aminonaphthalene-2-sulfonic acid Formula: C26H28ClN3O8S3 MolecularWeight: 642.16382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=C(C=C2)S(=O)(=O)O)N)CS(=O)(=O)CCCl.C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=C(C=C2)S(=O)(=O)O)N)CS(=O)(=O)CCCl.C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N

InChI

InChI=1S/C16H19ClN2O5S2.C10H9NO3S/c17-7-8-25(20,21)11-13-3-1-12(2-4-13)10-19-14-5-6-16(15(18)9-14)26(22,23)24;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,9,19H,7-8,10-11,18H2,(H,22,23,24);1-6H,11H2,(H,12,13,14)