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

Systemtic Name: 3-(2-aminocarbonyl-3-carbamimidoyl-4-methyl-indol-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-carbamimidoyl-2-carbamoyl-4-methyl-indol-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-carbamimidoyl-2-carbamoyl-4-methyl-1-indolyl)-1-propanesulfonic acid IUPAC Name: 3-(3-carbamimidoyl-2-carbamoyl-4-methylindol-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-amidino-2-carbamoyl-4-methyl-indol-1-yl)propane-1-sulfonic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2C(=N)N)C(=O)N)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2C(=N)N)C(=O)N)CCCS(=O)(=O)O

InChI

InChI=1S/C14H18N4O4S/c1-8-4-2-5-9-10(8)11(13(15)16)12(14(17)19)18(9)6-3-7-23(20,21)22/h2,4-5H,3,6-7H2,1H3,(H3,15,16)(H2,17,19)(H,20,21,22)