2-methyl-1-[(3S)-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[(3S)-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylpiperidin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[(3S)-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-1-piperidyl]propan-1-one CAS Name: 2-methyl-1-[(3S)-3-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-1-propanone IUPAC Name: 2-methyl-1-[(3S)-3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one Traditional Name: 1-[(3S)-3-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]piperidino]-2-methyl-propan-1-one Formula: C21H30N4O6S MolecularWeight: 466.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC[C@@H](C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O6S/c1-15(2)20(26)24-8-4-5-16(14-24)21(27)23-11-9-22(10-12-23)18-7-6-17(32(3,30)31)13-19(18)25(28)29/h6-7,13,15-16H,4-5,8-12,14H2,1-3H3/t16-/m0/s1