N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C19H25N3O4S2/c1-15-6-7-17(22(23)24)12-19(15)28(25,26)20-13-18(16-8-11-27-14-16)21-9-4-2-3-5-10-21/h6-8,11-12,14,18,20H,2-5,9-10,13H2,1H3