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

Systemtic Name: 2-(2-aminocarbonyl-4-chloranyl-1-methyl-indol-6-yl)-1-azanyl-1-azanylidene-propane-2-sulfonic acid Openeye Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methyl-indol-6-yl)-1-imino-propane-2-sulfonic acid CAS Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methyl-6-indolyl)-1-imino-2-propanesulfonic acid IUPAC Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methylindol-6-yl)-1-iminopropane-2-sulfonic acid Traditional Name: 1-amino-2-(2-carbamoyl-4-chloro-1-methyl-indol-6-yl)-1-imino-propane-2-sulfonic acid Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C(N2C)C(=O)N)C(=C1)Cl)(C(=N)N)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C(N2C)C(=O)N)C(=C1)Cl)(C(=N)N)S(=O)(=O)O

InChI

InChI=1S/C13H15ClN4O4S/c1-13(12(16)17,23(20,21)22)6-3-8(14)7-5-10(11(15)19)18(2)9(7)4-6/h3-5H,1-2H3,(H2,15,19)(H3,16,17)(H,20,21,22)