N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-(4-nitrophenoxy)acetamide Formula: C23H24N4O6S2 MolecularWeight: 516.58986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O6S2/c28-22(15-33-19-9-7-18(8-10-19)27(29)30)25-23-24-21(16-34-23)17-5-11-20(12-6-17)35(31,32)26-13-3-1-2-4-14-26/h5-12,16H,1-4,13-15H2,(H,24,25,28)