4-(5-carboxy-3,3-dimethyl-2-methylidene-indol-1-yl)butane-1-sulfonate

Systemtic Name: 4-(5-carboxy-3,3-dimethyl-2-methylidene-indol-1-yl)butane-1-sulfonate Openeye Name: 4-(5-carboxy-3,3-dimethyl-2-methylene-indolin-1-yl)butane-1-sulfonate CAS Name: 4-(5-carboxy-3,3-dimethyl-2-methylene-1-indolyl)-1-butanesulfonate IUPAC Name: 4-(5-carboxy-3,3-dimethyl-2-methylideneindol-1-yl)butane-1-sulfonate Traditional Name: 4-(5-carboxy-3,3-dimethyl-2-methylene-indolin-1-yl)butane-1-sulfonate Formula: C16H20NO5S- MolecularWeight: 338.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)N(C2=C1C=C(C=C2)C(=O)O)CCCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C(=C)N(C2=C1C=C(C=C2)C(=O)O)CCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C16H21NO5S/c1-11-16(2,3)13-10-12(15(18)19)6-7-14(13)17(11)8-4-5-9-23(20,21)22/h6-7,10H,1,4-5,8-9H2,2-3H3,(H,18,19)(H,20,21,22)/p-1