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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

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