2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C22H24N4O4S MolecularWeight: 440.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O4S/c1-14(21(27)23-18-13-16(26(28)29)7-8-19(18)30-2)25-11-9-15(10-12-25)22-24-17-5-3-4-6-20(17)31-22/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)