N-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O5S/c1-32-18-4-2-14(10-17(18)27(30)31)21(29)24-12-20(28)26-8-6-13(7-9-26)22-25-16-11-15(23)3-5-19(16)33-22/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,29)