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

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-(3-thienylmethyl)piperazine CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-(3-thiophenylmethyl)piperazine IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-4-(thiophen-3-ylmethyl)piperazine Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-(3-thenyl)piperazine Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S2/c25-24(26)20-14-18(30(27,28)23-7-2-1-3-8-23)4-5-19(20)22-11-9-21(10-12-22)15-17-6-13-29-16-17/h4-6,13-14,16H,1-3,7-12,15H2