(2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4S/c1-16-9-11-26(12-10-16)20-8-7-17(13-21(20)27(29)30)22(28)31-14-19-15-32-23(25-19)24-18-5-3-2-4-6-18/h2-8,13,15-16H,9-12,14H2,1H3,(H,24,25)