1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-yl)piperidino]-3-nitro-phenyl]ethanone Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13(24)15-6-7-17(18(12-15)23(25)26)22-10-8-14(9-11-22)20-21-16-4-2-3-5-19(16)27-20/h2-7,12,14H,8-11H2,1H3