3-(2-aminocarbonyl-3-carbamimidoyl-4-chloranyl-indol-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-aminocarbonyl-3-carbamimidoyl-4-chloranyl-indol-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-carbamimidoyl-2-carbamoyl-4-chloro-indol-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-carbamimidoyl-2-carbamoyl-4-chloro-1-indolyl)-1-propanesulfonic acid IUPAC Name: 3-(3-carbamimidoyl-2-carbamoyl-4-chloroindol-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-amidino-2-carbamoyl-4-chloro-indol-1-yl)propane-1-sulfonic acid Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C(=C(N2CCCS(=O)(=O)O)C(=O)N)C(=N)N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C(=C(N2CCCS(=O)(=O)O)C(=O)N)C(=N)N

InChI

InChI=1S/C13H15ClN4O4S/c14-7-3-1-4-8-9(7)10(12(15)16)11(13(17)19)18(8)5-2-6-23(20,21)22/h1,3-4H,2,5-6H2,(H3,15,16)(H2,17,19)(H,20,21,22)