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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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