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

Systemtic Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[[3-(2-chloroethylsulfonyl)anilino]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-5-hydroxy-naphthalene-2,7-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(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)NC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

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