N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-11-2-5-14(10-15(11)19(21)22)25(23,24)17-13-6-8-18(9-7-13)16(20)12-3-4-12/h2,5,10,12-13,17H,3-4,6-9H2,1H3