N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-3-nitro-4-piperidino-benzamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-31-20-8-6-14(11-16(20)23)17-13-32-22(24-17)25-21(28)15-5-7-18(19(12-15)27(29)30)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,24,25,28)