[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: [1-(4-fluorophenyl)sulfonyl-3-piperidyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: [1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: [1-(4-fluorophenyl)sulfonyl-3-piperidyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C25H31FN2O4S MolecularWeight: 474.588043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN2O4S/c1-32-22-12-8-19(9-13-22)24-7-3-2-4-17-28(24)25(29)20-6-5-16-27(18-20)33(30,31)23-14-10-21(26)11-15-23/h8-15,20,24H,2-7,16-18H2,1H3