5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline

Systemtic Name: 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline Openeye Name: 5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-N-[(1R)-1-phenylethyl]aniline CAS Name: 5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitro-N-[(1R)-1-phenylethyl]aniline IUPAC Name: 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline Traditional Name: [5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]-[(1R)-1-phenylethyl]amine Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4S/c1-21(22-7-3-2-4-8-22)29-27-20-25(12-14-28(27)32(33)34)30-15-17-31(18-16-30)37(35,36)26-13-11-23-9-5-6-10-24(23)19-26/h2-14,19-21,29H,15-18H2,1H3/t21-/m1/s1