N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(thiazol-4-ylmethoxy)benzamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

InChI

InChI=1S/C23H25N3O4S2/c27-23(18-8-10-21(11-9-18)30-15-20-16-31-17-24-20)25-19-6-5-7-22(14-19)32(28,29)26-12-3-1-2-4-13-26/h5-11,14,16-17H,1-4,12-13,15H2,(H,25,27)