(2S,3R)-2,6-bis(azanyl)-7-methyl-5,8-bis(oxidanylidene)-4-(sulfonatomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonate

Systemtic Name: (2S,3R)-2,6-bis(azanyl)-7-methyl-5,8-bis(oxidanylidene)-4-(sulfonatomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonate Openeye Name: (2S,3R)-2,6-diamino-7-methyl-5,8-dioxo-4-(sulfonatomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonate CAS Name: (2S,3R)-2,6-diamino-7-methyl-5,8-dioxo-4-(sulfonatomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonate IUPAC Name: (2S,3R)-2,6-diamino-7-methyl-5,8-dioxo-4-(sulfonatomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonate Traditional Name: (2S,3R)-2,6-diamino-5,8-diketo-7-methyl-4-(sulfonatomethyl)-2,3-dihydro-1H-pyrrol[1,2-a]indole-3-sulfonate Formula: C13H13N3O8S2-2 MolecularWeight: 403.38762

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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-])S(=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-])S(=O)(=O)[O-])N)N

InChI

InChI=1S/C13H15N3O8S2/c1-4-8(15)12(18)7-5(3-25(19,20)21)9-13(26(22,23)24)6(14)2-16(9)10(7)11(4)17/h6,13H,2-3,14-15H2,1H3,(H,19,20,21)(H,22,23,24)/p-2/t6-,13+/m0/s1