1-[(2-nitrophenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine CAS Name: 1-[(2-nitrophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine Traditional Name: 1-(2-nitrobenzyl)-4-(4-propylphenyl)sulfonyl-piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-2-5-17-8-10-19(11-9-17)28(26,27)22-14-12-21(13-15-22)16-18-6-3-4-7-20(18)23(24)25/h3-4,6-11H,2,5,12-16H2,1H3