4-[3-(2-methylpiperidin-1-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-(2-methylpiperidin-1-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[3-(2-methyl-1-piperidyl)propylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[3-(2-methyl-1-piperidinyl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(2-methylpiperidin-1-yl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[3-(2-methylpiperidino)propylamino]-3-nitro-benzenesulfonamide Formula: C18H30N4O4S MolecularWeight: 398.5202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-14(2)20-27(25,26)16-8-9-17(18(13-16)22(23)24)19-10-6-12-21-11-5-4-7-15(21)3/h8-9,13-15,19-20H,4-7,10-12H2,1-3H3