2-(6-oxidanylidene-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)ethanoic acid

Systemtic Name: 2-(6-oxidanylidene-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)ethanoic acid Openeye Name: 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetic acid CAS Name: 2-[6-oxo-3-(1-pyrrolidinylsulfonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetic acid IUPAC Name: 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetic acid Traditional Name: 2-(6-keto-3-pyrrolidinosulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetic acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(C1)C(=O)N(C3=C2C=CC(=C3)S(=O)(=O)N4CCCC4)CC(=O)O

Isomeric SMILES

C1CCN2C(C1)C(=O)N(C3=C2C=CC(=C3)S(=O)(=O)N4CCCC4)CC(=O)O

InChI

InChI=1S/C18H23N3O5S/c22-17(23)12-21-16-11-13(27(25,26)19-8-3-4-9-19)6-7-14(16)20-10-2-1-5-15(20)18(21)24/h6-7,11,15H,1-5,8-10,12H2,(H,22,23)