1-[3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]propyl]-2-pyrrolidone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-15-5-2-12-22(14-15)29(27,28)16-7-8-17(18(13-16)23(25)26)20-9-4-11-21-10-3-6-19(21)24/h7-8,13,15,20H,2-6,9-12,14H2,1H3/t15-/m0/s1