1-[4-[[5-(methylsulfonylamino)-1H-indol-2-yl]carbonyl]-3-(propan-2-ylamino)pyridin-2-yl]ethanesulfonate

Systemtic Name: 1-[4-[[5-(methylsulfonylamino)-1H-indol-2-yl]carbonyl]-3-(propan-2-ylamino)pyridin-2-yl]ethanesulfonate Openeye Name: 1-[3-(isopropylamino)-4-[5-(methanesulfonamido)-1H-indole-2-carbonyl]-2-pyridyl]ethanesulfonate CAS Name: 1-[4-[[5-(methanesulfonamido)-1H-indol-2-yl]-oxomethyl]-3-(propan-2-ylamino)-2-pyridinyl]ethanesulfonate IUPAC Name: 1-[4-[5-(methanesulfonamido)-1H-indole-2-carbonyl]-3-(propan-2-ylamino)pyridin-2-yl]ethanesulfonate Traditional Name: 1-[3-(isopropylamino)-4-[5-(methanesulfonamido)-1H-indole-2-carbonyl]-2-pyridyl]ethanesulfonate Formula: C20H23N4O6S2- MolecularWeight: 479.54982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CN=C1C(C)S(=O)(=O)[O-])C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)NC1=C(C=CN=C1C(C)S(=O)(=O)[O-])C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C

InChI

InChI=1S/C20H24N4O6S2/c1-11(2)22-19-15(7-8-21-18(19)12(3)32(28,29)30)20(25)17-10-13-9-14(24-31(4,26)27)5-6-16(13)23-17/h5-12,22-24H,1-4H3,(H,28,29,30)/p-1