4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(3-pyridin-4-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(3-pyridin-4-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[3-(4-pyridylsulfanyl)propyl]-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[3-(pyridin-4-ylthio)propyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(3-pyridin-4-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[3-(4-pyridylthio)propyl]-4-piperidyl]benzamide hydrate Formula: C22H31ClN4O4S MolecularWeight: 483.02394

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCSC3=CC=NC=C3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCSC3=CC=NC=C3.O

InChI

InChI=1S/C22H29ClN4O3S.H2O/c1-29-20-13-18(24)17(23)12-16(20)22(28)26-19-6-10-27(14-21(19)30-2)9-3-11-31-15-4-7-25-8-5-15;/h4-5,7-8,12-13,19,21H,3,6,9-11,14,24H2,1-2H3,(H,26,28);1H2