N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c23-19(17-7-3-4-8-18(17)22(24)25)20-15-9-11-16(12-10-15)28(26,27)21-13-5-1-2-6-14-21/h3-4,7-12H,1-2,5-6,13-14H2,(H,20,23)