1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-17-6-4-7-18(16-17)28-15-5-10-21-11-13-22(14-12-21)29(26,27)20-9-3-2-8-19(20)23(24)25/h2-4,6-9,16H,5,10-15H2,1H3