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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S2/c1-30-22-12-11-20(33(28,29)26-13-7-2-3-8-14-26)15-21(22)24(27)31-16-19-17-32-23(25-19)18-9-5-4-6-10-18/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3