4-[3,3-dimethyl-5-[1,3,4-tris(oxidanyl)butan-2-ylcarbamoyl]-2H-indol-1-yl]butane-1-sulfonate

Systemtic Name: 4-[3,3-dimethyl-5-[1,3,4-tris(oxidanyl)butan-2-ylcarbamoyl]-2H-indol-1-yl]butane-1-sulfonate Openeye Name: 4-[5-[[2,3-dihydroxy-1-(hydroxymethyl)propyl]carbamoyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonate CAS Name: 4-[3,3-dimethyl-5-[oxo-(1,3,4-trihydroxybutan-2-ylamino)methyl]-2H-indol-1-yl]-1-butanesulfonate IUPAC Name: 4-[3,3-dimethyl-5-(1,3,4-trihydroxybutan-2-ylcarbamoyl)-2H-indol-1-yl]butane-1-sulfonate Traditional Name: 4-[5-[(2,3-dihydroxy-1-methylol-propyl)carbamoyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonate Formula: C19H29N2O7S- MolecularWeight: 429.50776

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=C(C=C2)C(=O)NC(CO)C(CO)O)CCCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1(CN(C2=C1C=C(C=C2)C(=O)NC(CO)C(CO)O)CCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C19H30N2O7S/c1-19(2)12-21(7-3-4-8-29(26,27)28)16-6-5-13(9-14(16)19)18(25)20-15(10-22)17(24)11-23/h5-6,9,15,17,22-24H,3-4,7-8,10-12H2,1-2H3,(H,20,25)(H,26,27,28)/p-1