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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-nitrobenzyl)thio]acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S2/c25-21(16-30-15-17-5-9-19(10-6-17)24(26)27)22-18-7-11-20(12-8-18)31(28,29)23-13-3-1-2-4-14-23/h5-12H,1-4,13-16H2,(H,22,25)