(3-methyl-4-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-methyl-4-nitro-phenyl)methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-methyl-4-nitro-phenyl)methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-15-13-17(7-8-18(15)22(24)25)19(23)20-9-11-21(12-10-20)28(26,27)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3