(2-phenylazanyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S2/c1-31-22-12-11-20(34(29,30)27-13-7-2-3-8-14-27)15-21(22)23(28)32-16-19-17-33-24(26-19)25-18-9-5-4-6-10-18/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3,(H,25,26)