1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3,5-dimethylbenzyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O4S/c1-15-10-16(2)12-17(11-15)14-20-6-8-21(9-7-20)27(25,26)19-5-3-4-18(13-19)22(23)24/h3-5,10-13H,6-9,14H2,1-2H3