N-tert-butyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-tert-butyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-tert-butyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-tert-butyl-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-tert-butyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: tert-butyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-12-6-5-9-18(11-12)24(22,23)13-7-8-14(17-16(2,3)4)15(10-13)19(20)21/h7-8,10,12,17H,5-6,9,11H2,1-4H3/t12-/m0/s1