4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzamide Openeye Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-nitro-benzamide CAS Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-nitrobenzamide IUPAC Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-nitro-benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4O3S/c20-18(24)12-7-8-15(16(10-12)23(25)26)22-9-3-4-13(11-22)19-21-14-5-1-2-6-17(14)27-19/h1-2,5-8,10,13H,3-4,9,11H2,(H2,20,24)/t13-/m0/s1