(3-nitrophenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-nitrophenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone CAS Name: (3-nitrophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-nitrophenyl)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c22-18(16-7-4-8-17(13-16)21(23)24)19-9-11-20(12-10-19)27(25,26)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2