1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-naphthylsulfonyl)piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-naphthalen-2-ylsulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-naphthylsulfonyl)piperazine Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c1-15-20(25(26)27)16(2)24(21-15)14-22-9-11-23(12-10-22)30(28,29)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13H,9-12,14H2,1-2H3