2-morpholin-4-ylsulfonyl-4-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]aniline

Systemtic Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]aniline Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: 2-(4-morpholinylsulfonyl)-4-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]aniline IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: 2-(4-benzylpiperazino)ethyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

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