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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-aniline CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]amine Formula: C32H38N4O4S MolecularWeight: 574.73352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H38N4O4S/c1-22(32-19-23-14-24(20-32)16-25(15-23)21-32)33-30-18-28(7-9-31(30)36(37)38)34-10-12-35(13-11-34)41(39,40)29-8-6-26-4-2-3-5-27(26)17-29/h2-9,17-18,22-25,33H,10-16,19-21H2,1H3/t22-,23?,24?,25?,32?/m1/s1