N-[1-(5-methylfuran-2-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[1-(5-methylfuran-2-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[1-(5-methyl-2-furyl)ethyl]-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[1-(5-methyl-2-furanyl)ethyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[1-(5-methylfuran-2-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 1-(5-methyl-2-furyl)ethyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=C(O3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=C(O3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-13-5-4-10-21(12-13)28(25,26)16-7-8-17(18(11-16)22(23)24)20-15(3)19-9-6-14(2)27-19/h6-9,11,13,15,20H,4-5,10,12H2,1-3H3