2-(2-aminocarbonyl-1,4-dimethyl-indol-6-yl)-1-azanyl-1-azanylidene-propane-2-sulfonic acid

Systemtic Name: 2-(2-aminocarbonyl-1,4-dimethyl-indol-6-yl)-1-azanyl-1-azanylidene-propane-2-sulfonic acid Openeye Name: 1-amino-2-(2-carbamoyl-1,4-dimethyl-indol-6-yl)-1-imino-propane-2-sulfonic acid CAS Name: 1-amino-2-(2-carbamoyl-1,4-dimethyl-6-indolyl)-1-imino-2-propanesulfonic acid IUPAC Name: 1-amino-2-(2-carbamoyl-1,4-dimethylindol-6-yl)-1-iminopropane-2-sulfonic acid Traditional Name: 1-amino-2-(2-carbamoyl-1,4-dimethyl-indol-6-yl)-1-imino-propane-2-sulfonic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-7-4-8(14(2,13(16)17)23(20,21)22)5-10-9(7)6-11(12(15)19)18(10)3/h4-6H,1-3H3,(H2,15,19)(H3,16,17)(H,20,21,22)