2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazinyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazino]acetamide Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O5S/c1-17(2)14-23-22(28)16-24-9-11-25(12-10-24)20-7-6-19(13-21(20)27(29)30)33(31,32)26-8-4-5-18(3)15-26/h6-7,13,17-18H,4-5,8-12,14-16H2,1-3H3,(H,23,28)/t18-/m0/s1