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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-prop-2-ynyl-aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-prop-2-ynyl-aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-prop-2-ynylaniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-prop-2-ynylaniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-propargyl-amine Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S/c1-3-8-16-14-7-6-13(10-15(14)18(19)20)23(21,22)17-9-4-5-12(2)11-17/h1,6-7,10,12,16H,4-5,8-9,11H2,2H3/t12-/m0/s1