3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propan-1-ol

Systemtic Name: 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propan-1-ol Openeye Name: 3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]propan-1-ol CAS Name: 3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-1-propanol IUPAC Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]propan-1-ol Traditional Name: 3-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]propan-1-ol Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O5S/c1-12-4-2-8-17(11-12)24(22,23)13-5-6-14(16-7-3-9-19)15(10-13)18(20)21/h5-6,10,12,16,19H,2-4,7-9,11H2,1H3/t12-/m0/s1