N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S/c23-17(12-20-11-16(18-13-20)22(24)25)19-14-5-7-15(8-6-14)28(26,27)21-9-3-1-2-4-10-21/h5-8,11,13H,1-4,9-10,12H2,(H,19,23)