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

Systemtic Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-4-(3-thienylmethyl)piperazine CAS Name: 1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-4-(3-thiophenylmethyl)piperazine IUPAC Name: 1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-4-(thiophen-3-ylmethyl)piperazine Traditional Name: 1-(4-nitro-2-pyrrolidinosulfonyl-phenyl)-4-(3-thenyl)piperazine Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S2/c24-23(25)17-3-4-18(19(13-17)29(26,27)22-6-1-2-7-22)21-10-8-20(9-11-21)14-16-5-12-28-15-16/h3-5,12-13,15H,1-2,6-11,14H2