2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-N-(3-nitrophenyl)acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c25-19(21-15-6-3-7-16(11-15)24(26)27)13-23-10-4-5-14(12-23)20-22-17-8-1-2-9-18(17)28-20/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,21,25)/t14-/m0/s1