1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(3-nitrophenyl)amino]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

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