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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S2/c27-22(30-16-20-17-31-23(25-20)24-19-8-4-3-5-9-19)18-10-12-21(13-11-18)32(28,29)26-14-6-1-2-7-15-26/h3-5,8-13,17H,1-2,6-7,14-16H2,(H,24,25)