2-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-6-yl]ethanesulfonic acid

Systemtic Name: 2-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-6-yl]ethanesulfonic acid Openeye Name: 2-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-6-yl]ethanesulfonic acid CAS Name: 2-[4-chloro-2-[(diaminomethylideneamino)-oxomethyl]-1-methyl-6-indolyl]ethanesulfonic acid IUPAC Name: 2-[4-chloro-2-(diaminomethylidenecarbamoyl)-1-methylindol-6-yl]ethanesulfonic acid Traditional Name: 2-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-6-yl]ethanesulfonic acid Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2Cl)CCS(=O)(=O)O)C(=O)N=C(N)N

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2Cl)CCS(=O)(=O)O)C(=O)N=C(N)N

InChI

InChI=1S/C13H15ClN4O4S/c1-18-10-5-7(2-3-23(20,21)22)4-9(14)8(10)6-11(18)12(19)17-13(15)16/h4-6H,2-3H2,1H3,(H,20,21,22)(H4,15,16,17,19)