methyl 4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H25N3O5S2/c1-32-23(29)19-8-6-18(7-9-19)22(28)26-24-25-21(16-33-24)17-10-12-20(13-11-17)34(30,31)27-14-4-2-3-5-15-27/h6-13,16H,2-5,14-15H2,1H3,(H,25,26,28)