N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C23H32N5O5S+ MolecularWeight: 490.59568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O5S/c29-28(30)23-7-6-21(18-22(23)24-8-9-25-14-16-33-17-15-25)26-10-12-27(13-11-26)34(31,32)19-20-4-2-1-3-5-20/h1-7,18,24H,8-17,19H2/p+1