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

Systemtic Name: 1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]-3-oxo-propane-1-sulfonic acid CAS Name: 1-[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]-3-oxo-1-propanesulfonic acid IUPAC Name: 1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]-3-oxopropane-1-sulfonic acid Traditional Name: 1-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]-3-keto-propane-1-sulfonic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(CC=O)S(=O)(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(CC=O)S(=O)(=O)O)CC(=O)N

InChI

InChI=1S/C21H22N2O5S/c1-14-17(12-21(22)25)18-11-16(20(9-10-24)29(26,27)28)7-8-19(18)23(14)13-15-5-3-2-4-6-15/h2-8,10-11,20H,9,12-13H2,1H3,(H2,22,25)(H,26,27,28)