4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-prop-2-ynyl-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC#C)[N+](=O)[O-]

InChI

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