1-[3-(2-azanylethyl)-6-chloranyl-1H-indol-5-yl]urea; 3-methylbenzenesulfonic acid

Systemtic Name: 1-[3-(2-azanylethyl)-6-chloranyl-1H-indol-5-yl]urea; 3-methylbenzenesulfonic acid Openeye Name: [3-(2-aminoethyl)-6-chloro-1H-indol-5-yl]urea; 3-methylbenzenesulfonic acid CAS Name: [3-(2-aminoethyl)-6-chloro-1H-indol-5-yl]urea; 3-methylbenzenesulfonic acid IUPAC Name: [3-(2-aminoethyl)-6-chloro-1H-indol-5-yl]urea; 3-methylbenzenesulfonic acid Traditional Name: [3-(2-aminoethyl)-6-chloro-1H-indol-5-yl]urea; 3-methylbesylic acid Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)O.C1=C2C(=CC(=C1NC(=O)N)Cl)NC=C2CCN

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)O.C1=C2C(=CC(=C1NC(=O)N)Cl)NC=C2CCN

InChI

InChI=1S/C11H13ClN4O.C7H8O3S/c12-8-4-9-7(3-10(8)16-11(14)17)6(1-2-13)5-15-9;1-6-3-2-4-7(5-6)11(8,9)10/h3-5,15H,1-2,13H2,(H3,14,16,17);2-5H,1H3,(H,8,9,10)