2-(2-aminocarbonyl-4-chloranyl-1-methyl-indol-6-yl)-1-azanyl-1-azanylidene-4-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 2-(2-aminocarbonyl-4-chloranyl-1-methyl-indol-6-yl)-1-azanyl-1-azanylidene-4-oxidanylidene-butane-2-sulfonic acid Openeye Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methyl-indol-6-yl)-1-imino-4-oxo-butane-2-sulfonic acid CAS Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methyl-6-indolyl)-1-imino-4-oxo-2-butanesulfonic acid IUPAC Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methylindol-6-yl)-1-imino-4-oxobutane-2-sulfonic acid Traditional Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methyl-indol-6-yl)-1-imino-4-keto-butane-2-sulfonic acid Formula: C14H15ClN4O5S MolecularWeight: 386.8107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2Cl)C(CC=O)(C(=N)N)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2Cl)C(CC=O)(C(=N)N)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C14H15ClN4O5S/c1-19-10-5-7(4-9(15)8(10)6-11(19)12(16)21)14(2-3-20,13(17)18)25(22,23)24/h3-6H,2H2,1H3,(H2,16,21)(H3,17,18)(H,22,23,24)