[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]-pyrrolidino-methanone Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O5S/c26-20(22-8-4-5-9-22)23-14-12-21(13-15-23)18-7-6-17(16-19(18)25(27)28)31(29,30)24-10-2-1-3-11-24/h6-7,16H,1-5,8-15H2