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

Systemtic Name: 4-[2-[4-(2-chloroethylsulfonyl)phenyl]ethylcarbamoylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[2-[4-(2-chloroethylsulfonyl)phenyl]ethylcarbamoylamino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[[2-[4-(2-chloroethylsulfonyl)phenyl]ethylamino]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[2-[4-(2-chloroethylsulfonyl)phenyl]ethylcarbamoylamino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[2-[4-(2-chloroethylsulfonyl)phenyl]ethylcarbamoylamino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C21H21ClN2O10S3 MolecularWeight: 593.04684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)S(=O)(=O)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)S(=O)(=O)CCCl

InChI

InChI=1S/C21H21ClN2O10S3/c22-6-8-35(27,28)15-3-1-13(2-4-15)5-7-23-21(26)24-18-11-16(36(29,30)31)9-14-10-17(37(32,33)34)12-19(25)20(14)18/h1-4,9-12,25H,5-8H2,(H2,23,24,26)(H,29,30,31)(H,32,33,34)