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

Systemtic Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-nitro-benzaldehyde CAS Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-nitro-benzaldehyde Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c23-12-13-7-8-16(17(10-13)22(24)25)21-9-3-4-14(11-21)19-20-15-5-1-2-6-18(15)26-19/h1-2,5-8,10,12,14H,3-4,9,11H2/t14-/m0/s1