3-[2-[bis(azanyl)methylidenecarbamoyl]-1,4-dimethyl-indol-7-yl]oxypropane-1-sulfonic acid

Systemtic Name: 3-[2-[bis(azanyl)methylidenecarbamoyl]-1,4-dimethyl-indol-7-yl]oxypropane-1-sulfonic acid Openeye Name: 3-[2-(diaminomethylenecarbamoyl)-1,4-dimethyl-indol-7-yl]oxypropane-1-sulfonic acid CAS Name: 3-[[2-[(diaminomethylideneamino)-oxomethyl]-1,4-dimethyl-7-indolyl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[2-(diaminomethylidenecarbamoyl)-1,4-dimethylindol-7-yl]oxypropane-1-sulfonic acid Traditional Name: 3-[2-(diaminomethylenecarbamoyl)-1,4-dimethyl-indol-7-yl]oxypropane-1-sulfonic acid Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=C(C=C1)OCCCS(=O)(=O)O)C)C(=O)N=C(N)N

Isomeric SMILES

CC1=C2C=C(N(C2=C(C=C1)OCCCS(=O)(=O)O)C)C(=O)N=C(N)N

InChI

InChI=1S/C15H20N4O5S/c1-9-4-5-12(24-6-3-7-25(21,22)23)13-10(9)8-11(19(13)2)14(20)18-15(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,21,22,23)(H4,16,17,18,20)