N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(1H-indol-3-yl)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(1H-indol-3-yl)ethyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H25N5O4S MolecularWeight: 443.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-24-10-12-25(13-11-24)31(29,30)17-6-7-20(21(14-17)26(27)28)22-9-8-16-15-23-19-5-3-2-4-18(16)19/h2-7,14-15,22-23H,8-13H2,1H3