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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-nitro-benzenesulfonamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C18H23N3O4S2/c22-21(23)16-6-5-7-17(12-16)27(24,25)19-13-18(15-8-11-26-14-15)20-9-3-1-2-4-10-20/h5-8,11-12,14,18-19H,1-4,9-10,13H2