N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O4S/c1-29-17-11-18-14(10-13(17)21)22-20(30-18)23-19(26)12-5-6-15(16(9-12)25(27)28)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,23,26)