N-[3-(azepan-1-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)propyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-14-7-8-15(13-16(14)19(20)21)24(22,23)17-9-6-12-18-10-4-2-3-5-11-18/h7-8,13,17H,2-6,9-12H2,1H3