3-chloranyl-N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-10-14(17)8-13(9-15(10)20(22)23)26(24,25)18-12-4-6-19(7-5-12)16(21)11-2-3-11/h8-9,11-12,18H,2-7H2,1H3