N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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