3-oxidanylidene-2-[2-oxidanylidene-2-[2-(1-pyridin-4-ylpiperidin-4-yl)ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid

Systemtic Name: 3-oxidanylidene-2-[2-oxidanylidene-2-[2-(1-pyridin-4-ylpiperidin-4-yl)ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid Openeye Name: 3-oxo-2-[2-oxo-2-[2-[1-(4-pyridyl)-4-piperidyl]ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid CAS Name: 3-oxo-2-[2-oxo-2-[2-(1-pyridin-4-yl-4-piperidinyl)ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid IUPAC Name: 3-oxo-2-[2-oxo-2-[2-(1-pyridin-4-ylpiperidin-4-yl)ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid Traditional Name: 3-keto-2-[2-keto-2-[2-[1-(4-pyridyl)-4-piperidyl]ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=O)CC2C(=O)NC3=CC=CC=C3N2S(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CCNC(=O)CC2C(=O)NC3=CC=CC=C3N2S(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5O4S/c28-21(15-20-22(29)25-18-3-1-2-4-19(18)27(20)32(30)31)24-12-5-16-8-13-26(14-9-16)17-6-10-23-11-7-17/h1-4,6-7,10-11,16,20H,5,8-9,12-15H2,(H,24,28)(H,25,29)(H,30,31)