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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(2-pyridin-2-ylsulfanylethyl)piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyridylsulfanyl)ethyl]-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyridinylthio)ethyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(2-pyridin-2-ylsulfanylethyl)piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyridylthio)ethyl]-4-piperidyl]benzamide hydrate Formula: C21H29ClN4O4S MolecularWeight: 468.99736

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCSC3=CC=CC=N3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCSC3=CC=CC=N3.O

InChI

InChI=1S/C21H27ClN4O3S.H2O/c1-28-18-12-16(23)15(22)11-14(18)21(27)25-17-6-8-26(13-19(17)29-2)9-10-30-20-5-3-4-7-24-20;/h3-5,7,11-12,17,19H,6,8-10,13,23H2,1-2H3,(H,25,27);1H2