4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[[3-(2-chloroethylsulfonyl)anilino]-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C19H17ClN2O10S3 MolecularWeight: 564.99368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCCl)NC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)NC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C19H17ClN2O10S3/c20-6-7-33(25,26)12-3-1-2-11(8-12)21-19(24)22-15-4-5-17(35(30,31)32)14-9-13(34(27,28)29)10-16(23)18(14)15/h1-5,8-10,23H,6-7H2,(H2,21,22,24)(H,27,28,29)(H,30,31,32)