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

Systemtic Name: 3-[2-[bis(azanyl)methylidenecarbamoyl]-4-methyl-indol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(diaminomethylenecarbamoyl)-4-methyl-indol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(diaminomethylideneamino)-oxomethyl]-4-methyl-1-indolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-(diaminomethylidenecarbamoyl)-4-methylindol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(diaminomethylenecarbamoyl)-4-methyl-indol-1-yl]propane-1-sulfonic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CCCS(=O)(=O)O)C(=O)N=C(N)N

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CCCS(=O)(=O)O)C(=O)N=C(N)N

InChI

InChI=1S/C14H18N4O4S/c1-9-4-2-5-11-10(9)8-12(13(19)17-14(15)16)18(11)6-3-7-23(20,21)22/h2,4-5,8H,3,6-7H2,1H3,(H,20,21,22)(H4,15,16,17,19)