(3-methyl-2-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-methyl-2-nitro-phenyl)methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-methyl-2-nitrophenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-methyl-2-nitro-phenyl)methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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