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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-nitro-4-piperidino-benzamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4S/c1-34-23-12-10-18(26-28-19-7-3-4-8-24(19)35-26)15-20(23)27-25(31)17-9-11-21(22(16-17)30(32)33)29-13-5-2-6-14-29/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,31)