1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]-3-oxo-propane-1-sulfonic acid CAS Name: 1-[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]-3-oxo-1-propanesulfonic acid IUPAC Name: 1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]-3-oxopropane-1-sulfonic acid Traditional Name: 1-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-5-yl]-3-keto-propane-1-sulfonic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(CC=O)S(=O)(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(CC=O)S(=O)(=O)O)CC(=O)N

InChI

InChI=1S/C22H24N2O5S/c1-2-19-18(13-22(23)26)17-12-16(21(10-11-25)30(27,28)29)8-9-20(17)24(19)14-15-6-4-3-5-7-15/h3-9,11-12,21H,2,10,13-14H2,1H3,(H2,23,26)(H,27,28,29)