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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-piperidinosulfonyl-benzamide Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N4O5S2/c30-24(17-8-11-19(12-9-17)36(33,34)28-14-4-1-5-15-28)26-22-16-18(29(31)32)10-13-20(22)25-27-21-6-2-3-7-23(21)35-25/h2-3,6-13,16H,1,4-5,14-15H2,(H,26,30)