4-[3-azanyl-2-(2-oxidanylideneethyl)-2,3-dihydroindol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[3-azanyl-2-(2-oxidanylideneethyl)-2,3-dihydroindol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[3-amino-2-(2-oxoethyl)indolin-1-yl]butane-1-sulfonic acid CAS Name: 4-[3-amino-2-(2-oxoethyl)-2,3-dihydroindol-1-yl]-1-butanesulfonic acid IUPAC Name: 4-[3-amino-2-(2-oxoethyl)-2,3-dihydroindol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[3-amino-2-(2-ketoethyl)indolin-1-yl]butane-1-sulfonic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N2CCCCS(=O)(=O)O)CC=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N2CCCCS(=O)(=O)O)CC=O)N

InChI

InChI=1S/C14H20N2O4S/c15-14-11-5-1-2-6-12(11)16(13(14)7-9-17)8-3-4-10-21(18,19)20/h1-2,5-6,9,13-14H,3-4,7-8,10,15H2,(H,18,19,20)