[(2S,3S)-2,6-bis(azanyl)-7-methyl-3-oxidanyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanesulfonate

Systemtic Name: [(2S,3S)-2,6-bis(azanyl)-7-methyl-3-oxidanyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanesulfonate Openeye Name: [(2S,3S)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanesulfonate CAS Name: [(2S,3S)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanesulfonate IUPAC Name: [(2S,3S)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanesulfonate Traditional Name: [(2S,3S)-2,6-diamino-3-hydroxy-5,8-diketo-7-methyl-2,3-dihydro-1H-pyrrol[1,2-a]indol-4-yl]methanesulfonate Formula: C13H14N3O6S- MolecularWeight: 340.33176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2CS(=O)(=O)[O-])O)N)N

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]([C@@H](C3=C2CS(=O)(=O)[O-])O)N)N

InChI

InChI=1S/C13H15N3O6S/c1-4-8(15)13(19)7-5(3-23(20,21)22)9-12(18)6(14)2-16(9)10(7)11(4)17/h6,12,18H,2-3,14-15H2,1H3,(H,20,21,22)/p-1/t6-,12-/m0/s1