7-[[3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[[1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[[1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C23H21N3O7S MolecularWeight: 483.49374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

InChI

InChI=1S/C23H21N3O7S/c1-33-22(28)20(10-14-12-24-19-5-3-2-4-17(14)19)26-23(29)25-15-6-7-18-13(8-15)9-16(11-21(18)27)34(30,31)32/h2-9,11-12,20,24,27H,10H2,1H3,(H2,25,26,29)(H,30,31,32)