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

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-16-6-9-18(24(25)26)14-21(16)30(27,28)22-15-20(23-12-4-3-5-13-23)17-7-10-19(29-2)11-8-17/h6-11,14,20,22H,3-5,12-13,15H2,1-2H3