N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[1-(2-methoxyethyl)-4-piperidinyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CCOC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CCOC

InChI

InChI=1S/C16H25N3O5S/c1-13-3-4-15(19(20)21)11-16(13)25(22,23)17-12-14-5-7-18(8-6-14)9-10-24-2/h3-4,11,14,17H,5-10,12H2,1-2H3