[2-nitro-5-(phenylmethyl)sulfonyl-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-nitro-5-(phenylmethyl)sulfonyl-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone Openeye Name: [5-benzylsulfonyl-2-nitro-4-(1-piperidyl)phenyl]-piperazin-1-yl-methanone CAS Name: [2-nitro-5-(phenylmethyl)sulfonyl-4-(1-piperidinyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: (5-benzylsulfonyl-2-nitro-4-piperidin-1-ylphenyl)-piperazin-1-ylmethanone Traditional Name: (5-benzylsulfonyl-2-nitro-4-piperidino-phenyl)-piperazino-methanone Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O5S/c28-23(26-13-9-24-10-14-26)19-15-22(33(31,32)17-18-7-3-1-4-8-18)21(16-20(19)27(29)30)25-11-5-2-6-12-25/h1,3-4,7-8,15-16,24H,2,5-6,9-14,17H2