3-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-6-yl]oxypropane-1-sulfonic acid

Systemtic Name: 3-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-6-yl]oxypropane-1-sulfonic acid Openeye Name: 3-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-6-yl]oxypropane-1-sulfonic acid CAS Name: 3-[[4-chloro-2-[(diaminomethylideneamino)-oxomethyl]-1-methyl-6-indolyl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[4-chloro-2-(diaminomethylidenecarbamoyl)-1-methylindol-6-yl]oxypropane-1-sulfonic acid Traditional Name: 3-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-6-yl]oxypropane-1-sulfonic acid Formula: C14H17ClN4O5S MolecularWeight: 388.82658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C=C1C(=O)N=C(N)N)Cl)OCCCS(=O)(=O)O

Isomeric SMILES

CN1C2=CC(=CC(=C2C=C1C(=O)N=C(N)N)Cl)OCCCS(=O)(=O)O

InChI

InChI=1S/C14H17ClN4O5S/c1-19-11-6-8(24-3-2-4-25(21,22)23)5-10(15)9(11)7-12(19)13(20)18-14(16)17/h5-7H,2-4H2,1H3,(H,21,22,23)(H4,16,17,18,20)