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

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [(2S)-2-(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)N2CCCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13-12-14(9-10-16(13)23(25)26)20(24)22-11-5-4-7-17(22)19-21-15-6-2-3-8-18(15)27-19/h2-3,6,8-10,12,17H,4-5,7,11H2,1H3/t17-/m0/s1