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

Systemtic Name: N-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C22H21ClN4O4S/c1-13-2-3-15(10-18(13)27(30)31)21(29)24-12-20(28)26-8-6-14(7-9-26)22-25-17-11-16(23)4-5-19(17)32-22/h2-5,10-11,14H,6-9,12H2,1H3,(H,24,29)