N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c24-20(15-29-18-9-7-17(8-10-18)23(25)26)21-16-5-11-19(12-6-16)30(27,28)22-13-3-1-2-4-14-22/h5-12H,1-4,13-15H2,(H,21,24)