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

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O3S/c28-22(16-8-10-18(19(14-16)27(29)30)26-12-4-1-5-13-26)25-23-24-21-17-7-3-2-6-15(17)9-11-20(21)31-23/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H,24,25,28)