1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-(3-pyridylmethyl)piperazine CAS Name: 1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-(4-nitro-2-pyrrolidinosulfonyl-phenyl)-4-(3-pyridylmethyl)piperazine Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H25N5O4S/c26-25(27)18-5-6-19(20(14-18)30(28,29)24-8-1-2-9-24)23-12-10-22(11-13-23)16-17-4-3-7-21-15-17/h3-7,14-15H,1-2,8-13,16H2