N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-18-8-11-21(25(26)27)17-22(18)30(28,29)23-14-6-7-19-9-12-20(13-10-19)24-15-4-2-3-5-16-24/h8-13,17,23H,2-7,14-16H2,1H3