1-[2-oxidanylidene-3-piperidin-4-yl-3-(sulfinoamino)butyl]-4-pyridin-4-yl-piperazine

Systemtic Name: 1-[2-oxidanylidene-3-piperidin-4-yl-3-(sulfinoamino)butyl]-4-pyridin-4-yl-piperazine Openeye Name: 1-[2-oxo-3-(4-piperidyl)-3-(sulfinoamino)butyl]-4-(4-pyridyl)piperazine CAS Name: 1-[2-oxo-3-(4-piperidinyl)-3-(sulfinoamino)butyl]-4-pyridin-4-ylpiperazine IUPAC Name: 1-[2-oxo-3-piperidin-4-yl-3-(sulfinoamino)butyl]-4-pyridin-4-ylpiperazine Traditional Name: 1-[2-keto-3-(4-piperidyl)-3-(sulfinoamino)butyl]-4-(4-pyridyl)piperazine Formula: C18H29N5O3S MolecularWeight: 395.51956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)(C(=O)CN2CCN(CC2)C3=CC=NC=C3)NS(=O)O

Isomeric SMILES

CC(C1CCNCC1)(C(=O)CN2CCN(CC2)C3=CC=NC=C3)NS(=O)O

InChI

InChI=1S/C18H29N5O3S/c1-18(21-27(25)26,15-2-6-19-7-3-15)17(24)14-22-10-12-23(13-11-22)16-4-8-20-9-5-16/h4-5,8-9,15,19,21H,2-3,6-7,10-14H2,1H3,(H,25,26)