[2-nitro-5-(phenylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-nitro-5-(phenylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone Openeye Name: [5-(benzenesulfonyl)-2-nitro-4-(4-pyridylmethylamino)phenyl]-piperazin-1-yl-methanone CAS Name: [5-(benzenesulfonyl)-2-nitro-4-(pyridin-4-ylmethylamino)phenyl]-(1-piperazinyl)methanone IUPAC Name: [5-(benzenesulfonyl)-2-nitro-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-ylmethanone Traditional Name: [5-besyl-2-nitro-4-(4-pyridylmethylamino)phenyl]-piperazino-methanone Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O5S/c29-23(27-12-10-25-11-13-27)19-14-22(34(32,33)18-4-2-1-3-5-18)20(15-21(19)28(30)31)26-16-17-6-8-24-9-7-17/h1-9,14-15,25-26H,10-13,16H2