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

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[1-(oxolan-2-yl)ethyl]aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-N-(1-tetrahydrofuran-2-ylethyl)aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[1-(2-oxolanyl)ethyl]aniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[1-(oxolan-2-yl)ethyl]aniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[1-(tetrahydrofuryl)ethyl]amine Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c1-13-5-3-9-20(12-13)27(24,25)15-7-8-16(17(11-15)21(22)23)19-14(2)18-6-4-10-26-18/h7-8,11,13-14,18-19H,3-6,9-10,12H2,1-2H3