4-azanyl-1-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-8-methyl-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-1-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-8-methyl-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-1-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-8-methyl-naphthalene-2,7-disulfonic acid CAS Name: 4-amino-1-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-5-hydroxy-8-methylnaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-1-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-8-methylnaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-1-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-8-methyl-naphthalene-2,7-disulfonic acid Formula: C21H21ClN2O10S3 MolecularWeight: 593.04684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=C(C=C2N)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)CCCl)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C2=C1C(=C(C=C2N)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)CCCl)O)S(=O)(=O)O

InChI

InChI=1S/C21H21ClN2O10S3/c1-11-16(36(29,30)31)9-15(25)19-14(23)8-17(37(32,33)34)20(18(11)19)24-21(26)13-4-2-12(3-5-13)10-35(27,28)7-6-22/h2-5,8-9,25H,6-7,10,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)