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

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3,5-dimethylbenzyl)-4-nosyl-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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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