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

Systemtic Name: 2-(2-aminocarbonyl-1,4-dimethyl-indol-6-yl)-1-azanyl-1-azanylidene-4-oxidanylidene-butane-2-sulfonic acid Openeye Name: 1-amino-2-(2-carbamoyl-1,4-dimethyl-indol-6-yl)-1-imino-4-oxo-butane-2-sulfonic acid CAS Name: 1-amino-2-(2-carbamoyl-1,4-dimethyl-6-indolyl)-1-imino-4-oxo-2-butanesulfonic acid IUPAC Name: 1-amino-2-(2-carbamoyl-1,4-dimethylindol-6-yl)-1-imino-4-oxobutane-2-sulfonic acid Traditional Name: 1-amino-2-(2-carbamoyl-1,4-dimethyl-indol-6-yl)-1-imino-4-keto-butane-2-sulfonic acid Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-8-5-9(15(3-4-20,14(17)18)25(22,23)24)6-11-10(8)7-12(13(16)21)19(11)2/h4-7H,3H2,1-2H3,(H2,16,21)(H3,17,18)(H,22,23,24)