2-azanyl-3-(6-chloranyl-1H-indol-3-yl)propanoic acid; benzenesulfonic acid

Systemtic Name: 2-azanyl-3-(6-chloranyl-1H-indol-3-yl)propanoic acid; benzenesulfonic acid Openeye Name: 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid; benzenesulfonic acid CAS Name: 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid; benzenesulfonic acid IUPAC Name: 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid; benzenesulfonic acid Traditional Name: 2-amino-3-(6-chloro-1H-indol-3-yl)propionic acid; besylic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1Cl)NC=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1Cl)NC=C2CC(C(=O)O)N

InChI

InChI=1S/C11H11ClN2O2.C6H6O3S/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;7-10(8,9)6-4-2-1-3-5-6/h1-2,4-5,9,14H,3,13H2,(H,15,16);1-5H,(H,7,8,9)