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

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]aniline Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]aniline IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(4-benzylpiperazino)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-29(27,28)18-7-8-19(20(15-18)24(25)26)21-9-10-22-11-13-23(14-12-22)16-17-5-3-2-4-6-17/h2-8,15,21H,9-14,16H2,1H3